CID 3393465

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

Structural Information

Molecular Formula
C19H11Cl2N5O2
SMILES
COC1=C(C=C(C=C1Cl)Cl)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C19H11Cl2N5O2/c1-28-16-12(6-11(20)7-13(16)21)18(27)24-17-10(8-22)9-26-15-5-3-2-4-14(15)23-19(26)25-17/h2-7,9H,1H3,(H,23,24,25,27)
InChIKey
YQMPCZJWUVKKTB-UHFFFAOYSA-N
Compound name
3,5-dichloro-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

411.029 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.03628 195.9
[M+Na]+ 434.01822 210.4
[M-H]- 410.02172 198.2
[M+NH4]+ 429.06282 205.8
[M+K]+ 449.99216 199.9
[M+H-H2O]+ 394.02626 179.9
[M+HCOO]- 456.02720 203.6
[M+CH3COO]- 470.04285 203.8
[M+Na-2H]- 432.00367 197.8
[M]+ 411.02845 197.6
[M]- 411.02955 197.6
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.