CID 515977

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

Structural Information

Molecular Formula
C19H21N3O2S2
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC)C3=CC=CC=C3)N=C1SC
InChI
InChI=1S/C19H21N3O2S2/c1-13(2)26(23,24)22-17-12-15(10-11-16(17)21-19(22)25-4)18(20-3)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKey
BHLOTGNWLYWXCA-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methylsulfanyl-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11478 191.4
[M+Na]+ 410.09672 201.3
[M-H]- 386.10022 198.3
[M+NH4]+ 405.14132 204.7
[M+K]+ 426.07066 195.1
[M+H-H2O]+ 370.10476 183.9
[M+HCOO]- 432.10570 202.9
[M+CH3COO]- 446.12135 221.0
[M+Na-2H]- 408.08217 192.1
[M]+ 387.10695 198.8
[M]- 387.10805 198.8
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

No patent data available for this compound.