CID 397059

Nsc704341

Structural Information

Molecular Formula
C21H17Cl2N3O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H17Cl2N3O2S2/c1-12-9-19(18(29)11-16(12)23)30(27,28)26-21-24-17-8-7-14(22)10-15(17)20(25-21)13-5-3-2-4-6-13/h2-11,20,29H,1H3,(H2,24,25,26)
InChIKey
UWGCENJWPDTUFD-UHFFFAOYSA-N
Compound name
4-chloro-N-(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.01392 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.02120 201.8
[M+Na]+ 500.00314 212.2
[M-H]- 476.00664 207.9
[M+NH4]+ 495.04774 209.7
[M+K]+ 515.97708 202.3
[M+H-H2O]+ 460.01118 194.7
[M+HCOO]- 522.01212 200.2
[M+CH3COO]- 536.02777 209.4
[M+Na-2H]- 497.98859 204.1
[M]+ 477.01337 206.4
[M]- 477.01447 206.4
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.