CID 3017389

63197-61-5

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C17H17N3O3S/c1-11(2)24(22,23)20-15-10-13(8-9-14(15)19-17(20)18)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19)
InChIKey
SXUXQJLILGMLOR-UHFFFAOYSA-N
Compound name
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

343.09906 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.106336 179.5
[M+Na]+ 366.088278 189.4
[M-H]- 342.091784 185.4
[M+NH4]+ 361.132883 193.1
[M+K]+ 382.062218 184.3
[M+H-H2O]+ 326.096320 172.0
[M+HCOO]- 388.097261 195.2
[M+CH3COO]- 402.112911 211.2
[M+Na-2H]- 364.073726 181.3
[M]+ 343.09851142 184.1
[M]- 343.09960858 184.1
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

patents stripe