CID 4126195

N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C17H11N5O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C17H11N5O2S/c18-10-12-11-22-15-9-5-4-8-14(15)19-17(22)20-16(12)21-25(23,24)13-6-2-1-3-7-13/h1-9,11H,(H,19,20,21)
InChIKey
GKFZOBAYGTWZHW-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07063 190.4
[M+Na]+ 372.05257 203.8
[M-H]- 348.05607 193.8
[M+NH4]+ 367.09717 201.5
[M+K]+ 388.02651 195.0
[M+H-H2O]+ 332.06061 174.9
[M+HCOO]- 394.06155 202.6
[M+CH3COO]- 408.07720 198.9
[M+Na-2H]- 370.03802 195.8
[M]+ 349.06280 189.1
[M]- 349.06390 189.1
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.