CID 515973

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

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C18H20N4O2S/c1-12(2)25(23,24)22-16-11-14(9-10-15(16)21-18(22)19)17(20-3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,19,21)
InChIKey
UFGRYYWNNIBHBJ-UHFFFAOYSA-N
Compound name
6-(N-methyl-C-phenylcarbonimidoyl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.1307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 184.5
[M+Na]+ 379.11992 193.7
[M-H]- 355.12342 191.5
[M+NH4]+ 374.16452 198.1
[M+K]+ 395.09386 188.6
[M+H-H2O]+ 339.12796 176.3
[M+HCOO]- 401.12890 202.1
[M+CH3COO]- 415.14455 218.7
[M+Na-2H]- 377.10537 186.8
[M]+ 356.13015 189.0
[M]- 356.13125 189.0
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.