PubChemLite - Sybr green i (C32H37N4S)

Structural Information

Molecular Formula

SMILES

CCCN(CCCN(C)C)C1=[N+](C2=CC=CC=C2C(=C1)/C=C/3\N(C4=CC=CC=C4S3)C)C5=CC=CC=C5

InChI

InChI=1S/C32H37N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3/q+1

InChIKey

CGNLCCVKSWNSDG-UHFFFAOYSA-N

Compound name

N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]-N'-propylpropane-1,3-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	510.28118	230.7
[M+Na]+	532.26312	234.8
[M-H]-	508.26662	240.7
[M+NH4]+	527.30772	238.7
[M+K]+	548.23706	221.6
[M+H-H2O]+	492.27116	220.9
[M+HCOO]-	554.27210	243.8
[M+CH3COO]-	568.28775	248.5
[M+Na-2H]-	530.24857	230.5
[M]+	509.27335	233.8
[M]-	509.27445	233.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.28118

230.7

[M+Na]+

532.26312

234.8

[M-H]-

508.26662

240.7

[M+NH4]+

527.30772

238.7

[M+K]+

548.23706

221.6

[M+H-H2O]+

492.27116

220.9

[M+HCOO]-

554.27210

243.8

[M+CH3COO]-

568.28775

248.5

[M+Na-2H]-

530.24857

230.5

[M]+

509.27335

233.8

[M]-

509.27445

233.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Sybr green i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe