479194-50-8 (C25H28N6O5)

Structural Information

Molecular Formula

SMILES

CCN1C(=O)C2=C(C1=O)C=C(C(=C2)C#N)N=NC3=C(C=C(C=C3)N(CCOC)CCOC)NC(=O)C

InChI

InChI=1S/C25H28N6O5/c1-5-31-24(33)19-12-17(15-26)22(14-20(19)25(31)34)29-28-21-7-6-18(13-23(21)27-16(2)32)30(8-10-35-3)9-11-36-4/h6-7,12-14H,5,8-11H2,1-4H3,(H,27,32)

InChIKey

LQERQMAWTHYJIQ-UHFFFAOYSA-N

Compound name

N-[5-[bis(2-methoxyethyl)amino]-2-[(6-cyano-2-ethyl-1,3-dioxoisoindol-5-yl)diazenyl]phenyl]acetamide

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]+	493.219406	218.8
[M+Na]+	515.201348	225.5
[M-H]-	491.204854	226.1
[M+NH4]+	510.245953	226.5
[M+K]+	531.175288	222.3
[M+H-H2O]+	475.209390	201.4
[M+HCOO]-	537.210331	240.1
[M+CH3COO]-	551.225981	264.3
[M+Na-2H]-	513.186796	217.0
[M]+	492.21158142	221.3
[M]-	492.21267858	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.219406

218.8

[M+Na]+

515.201348

225.5

[M-H]-

491.204854

226.1

[M+NH4]+

510.245953

226.5

[M+K]+

531.175288

222.3

[M+H-H2O]+

475.209390

201.4

[M+HCOO]-

537.210331

240.1

[M+CH3COO]-

551.225981

264.3

[M+Na-2H]-

513.186796

217.0

[M]+

492.21158142

221.3

[M]-

492.21267858

221.3

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

479194-50-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe