CID 4173748

5-bromo-n-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide

Structural Information

Molecular Formula
C19H12BrN5O2
SMILES
COC1=C(C=C(C=C1)Br)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C19H12BrN5O2/c1-27-16-7-6-12(20)8-13(16)18(26)23-17-11(9-21)10-25-15-5-3-2-4-14(15)22-19(25)24-17/h2-8,10H,1H3,(H,22,23,24,26)
InChIKey
LDXSXNQPNDTONM-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.01743 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.02471 194.6
[M+Na]+ 444.00665 200.3
[M+NH4]+ 439.05125 195.2
[M+K]+ 459.98059 196.6
[M-H]- 420.01015 190.1
[M+Na-2H]- 441.99210 195.3
[M]+ 421.01688 192.4
[M]- 421.01798 192.4
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.