CID 4534544

N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-4-fluorobenzamide

Structural Information

Molecular Formula
C18H10FN5O
SMILES
C1=CC=C2C(=C1)N=C3N2C=C(C(=N3)NC(=O)C4=CC=C(C=C4)F)C#N
InChI
InChI=1S/C18H10FN5O/c19-13-7-5-11(6-8-13)17(25)22-16-12(9-20)10-24-15-4-2-1-3-14(15)21-18(24)23-16/h1-8,10H,(H,21,22,23,25)
InChIKey
YOJLXZNEISZSNJ-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08694 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09422 178.1
[M+Na]+ 354.07616 190.6
[M-H]- 330.07966 179.5
[M+NH4]+ 349.12076 189.1
[M+K]+ 370.05010 180.8
[M+H-H2O]+ 314.08420 160.2
[M+HCOO]- 376.08514 193.8
[M+CH3COO]- 390.10079 186.6
[M+Na-2H]- 352.06161 182.5
[M]+ 331.08639 173.5
[M]- 331.08749 173.5
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.