CID 390176

Nsc687323

Structural Information

Molecular Formula
C21H23N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4
InChI
InChI=1S/C21H23N3O3S/c1-15-11-13-17(14-12-15)28(26,27)23-21-22-19-10-6-5-9-18(19)20(25)24(21)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,22,23)
InChIKey
WQWYUQJWGKQWSU-UHFFFAOYSA-N
Compound name
N-(3-cyclohexyl-4-oxoquinazolin-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15331 192.8
[M+Na]+ 420.13525 199.5
[M-H]- 396.13875 199.9
[M+NH4]+ 415.17985 201.7
[M+K]+ 436.10919 192.9
[M+H-H2O]+ 380.14329 182.4
[M+HCOO]- 442.14423 204.4
[M+CH3COO]- 456.15988 201.1
[M+Na-2H]- 418.12070 196.6
[M]+ 397.14548 191.8
[M]- 397.14658 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.