PubChemLite - Taprizosin (C25H26N6O4S)

Structural Information

Molecular Formula

SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C)C5=CC=CC=N5)OC

InChI

InChI=1S/C25H26N6O4S/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29)

InChIKey

OLYXPBZBZBVRGD-UHFFFAOYSA-N

Compound name

N-[2-(4-amino-6,7-dimethoxy-5-pyridin-2-ylquinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide

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]+	507.18088	218.7
[M+Na]+	529.16282	233.2
[M+NH4]+	524.20742	223.6
[M+K]+	545.13676	224.6
[M-H]-	505.16632	224.0
[M+Na-2H]-	527.14827	226.0
[M]+	506.17305	222.7
[M]-	506.17415	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.18088

218.7

[M+Na]+

529.16282

233.2

[M+NH4]+

524.20742

223.6

[M+K]+

545.13676

224.6

[M-H]-

505.16632

224.0

[M+Na-2H]-

527.14827

226.0

[M]+

506.17305

222.7

[M]-

506.17415

222.7

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

Taprizosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe