CID 1088438

1-(4-methylbenzenesulfonyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKey
SRFABRWQVPCPRG-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

87
Patents

287.07285 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 164.3
[M+Na]+ 310.06207 176.4
[M-H]- 286.06557 170.5
[M+NH4]+ 305.10667 180.7
[M+K]+ 326.03601 170.7
[M+H-H2O]+ 270.07011 157.1
[M+HCOO]- 332.07105 182.7
[M+CH3COO]- 346.08670 177.0
[M+Na-2H]- 308.04752 169.2
[M]+ 287.07230 168.3
[M]- 287.07340 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe