CID 515975

1-(3-isopropylsulfonyl-2-methyl-benzimidazol-5-yl)-n-methyl-1-phenyl-methanimine

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CC1=NC2=C(N1S(=O)(=O)C(C)C)C=C(C=C2)C(=NC)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2S/c1-13(2)25(23,24)22-14(3)21-17-11-10-16(12-18(17)22)19(20-4)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey
NZFYQNHKKRHINX-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methyl-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.13544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 185.2
[M+Na]+ 378.12466 195.0
[M-H]- 354.12816 192.7
[M+NH4]+ 373.16926 199.5
[M+K]+ 394.09860 190.0
[M+H-H2O]+ 338.13270 177.0
[M+HCOO]- 400.13364 202.1
[M+CH3COO]- 414.14929 217.1
[M+Na-2H]- 376.11011 187.0
[M]+ 355.13489 191.7
[M]- 355.13599 191.7
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.