CID 4280665

116477-74-8

Structural Information

Molecular Formula
C23H21N5O3
SMILES
CC(C)COC1=C(C=C(C=C1)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N)OC
InChI
InChI=1S/C23H21N5O3/c1-14(2)13-31-19-9-8-15(10-20(19)30-3)22(29)26-21-16(11-24)12-28-18-7-5-4-6-17(18)25-23(28)27-21/h4-10,12,14H,13H2,1-3H3,(H,25,26,27,29)
InChIKey
AQIHKXSSFIROBQ-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide
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 202.6
[M+Na]+ 438.15365 216.0
[M+NH4]+ 433.19825 205.0
[M+K]+ 454.12759 207.2
[M-H]- 414.15715 198.2
[M+Na-2H]- 436.13910 205.2
[M]+ 415.16388 202.4
[M]- 415.16498 202.4
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.