CID 515978

1-isopropylsulfonyl-n-methyl-6-[(e)-n-methyl-c-phenyl-carbonimidoyl]benzimidazol-2-amine

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC)C3=CC=CC=C3)N=C1NC
InChI
InChI=1S/C19H22N4O2S/c1-13(2)26(24,25)23-17-12-15(10-11-16(17)22-19(23)21-4)18(20-3)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,21,22)
InChIKey
CSQCNZJKLZLHGI-UHFFFAOYSA-N
Compound name
N-methyl-6-(N-methyl-C-phenylcarbonimidoyl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.14636 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 188.6
[M+Na]+ 393.13558 197.3
[M-H]- 369.13908 195.9
[M+NH4]+ 388.18018 201.8
[M+K]+ 409.10952 192.3
[M+H-H2O]+ 353.14362 180.0
[M+HCOO]- 415.14456 206.4
[M+CH3COO]- 429.16021 222.2
[M+Na-2H]- 391.12103 191.4
[M]+ 370.14581 194.3
[M]- 370.14691 194.3
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

No patent data available for this compound.