CID 984670

305333-13-5

Structural Information

Molecular Formula
C24H24N6
SMILES
CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=N5
InChI
InChI=1S/C24H24N6/c1-3-18-17(2)19(16-25)23-27-20-8-4-5-9-21(20)30(23)24(18)29-14-12-28(13-15-29)22-10-6-7-11-26-22/h4-11H,3,12-15H2,1-2H3
InChIKey
KWNXSLZVKHIZMK-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.20624 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21352 197.4
[M+Na]+ 419.19546 208.1
[M-H]- 395.19896 198.5
[M+NH4]+ 414.24006 203.3
[M+K]+ 435.16940 195.6
[M+H-H2O]+ 379.20350 177.1
[M+HCOO]- 441.20444 206.0
[M+CH3COO]- 455.22009 202.9
[M+Na-2H]- 417.18091 197.3
[M]+ 396.20569 190.9
[M]- 396.20679 190.9
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.