CID 515976

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

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC)C3=CC=CC=C3)N=C1OC
InChI
InChI=1S/C19H21N3O3S/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
BVYHNQRRBHDKHT-UHFFFAOYSA-N
Compound name
1-(2-methoxy-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methyl-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.13037 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 188.5
[M+Na]+ 394.11959 197.9
[M-H]- 370.12309 195.9
[M+NH4]+ 389.16419 201.9
[M+K]+ 410.09353 193.6
[M+H-H2O]+ 354.12763 180.1
[M+HCOO]- 416.12857 205.5
[M+CH3COO]- 430.14422 219.2
[M+Na-2H]- 392.10504 190.6
[M]+ 371.12982 196.3
[M]- 371.13092 196.3
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.