CID 5143530

116477-73-7

Structural Information

Molecular Formula
C23H21N5O3
SMILES
CCCCOC1=C(C=C(C=C1)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N)OC
InChI
InChI=1S/C23H21N5O3/c1-3-4-11-31-19-10-9-15(12-20(19)30-2)22(29)26-21-16(13-24)14-28-18-8-6-5-7-17(18)25-23(28)27-21/h5-10,12,14H,3-4,11H2,1-2H3,(H,25,26,27,29)
InChIKey
TXUXUFPNOIVSMR-UHFFFAOYSA-N
Compound name
4-butoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16443 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17171 203.7
[M+Na]+ 438.15365 217.3
[M+NH4]+ 433.19825 206.1
[M+K]+ 454.12759 207.8
[M-H]- 414.15715 199.4
[M+Na-2H]- 436.13910 206.4
[M]+ 415.16388 203.6
[M]- 415.16498 203.6
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.