PubChemLite - Db292 (C29H41N7)

Structural Information

Molecular Formula

SMILES

CN1C(=CC=C1C2=CC=C(C=C2)C(=NCCCN(C)C)N)C3=CC=C(C=C3)C(=NCCCN(C)C)N

InChI

InChI=1S/C29H41N7/c1-34(2)20-6-18-32-28(30)24-12-8-22(9-13-24)26-16-17-27(36(26)5)23-10-14-25(15-11-23)29(31)33-19-7-21-35(3)4/h8-17H,6-7,18-21H2,1-5H3,(H2,30,32)(H2,31,33)

InChIKey

DSDOTIKJHOMVHQ-UHFFFAOYSA-N

Compound name

N'-[3-(dimethylamino)propyl]-4-[5-[4-[N'-[3-(dimethylamino)propyl]carbamimidoyl]phenyl]-1-methylpyrrol-2-yl]benzenecarboximidamide

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]+	488.34963	227.8
[M+Na]+	510.33157	228.4
[M-H]-	486.33507	239.8
[M+NH4]+	505.37617	235.6
[M+K]+	526.30551	225.3
[M+H-H2O]+	470.33961	214.7
[M+HCOO]-	532.34055	254.8
[M+CH3COO]-	546.35620	268.4
[M+Na-2H]-	508.31702	223.8
[M]+	487.34180	229.7
[M]-	487.34290	229.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.34963

227.8

[M+Na]+

510.33157

228.4

[M-H]-

486.33507

239.8

[M+NH4]+

505.37617

235.6

[M+K]+

526.30551

225.3

[M+H-H2O]+

470.33961

214.7

[M+HCOO]-

532.34055

254.8

[M+CH3COO]-

546.35620

268.4

[M+Na-2H]-

508.31702

223.8

[M]+

487.34180

229.7

[M]-

487.34290

229.7

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

Db292

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe