CID 5865024

305335-38-0

Structural Information

Molecular Formula
C34H41N5
SMILES
CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C/C=C/C5=CC=CC=C5
InChI
InChI=1S/C34H41N5/c1-3-4-5-6-7-11-18-29-27(2)30(26-35)33-36-31-19-12-13-20-32(31)39(33)34(29)38-24-22-37(23-25-38)21-14-17-28-15-9-8-10-16-28/h8-10,12-17,19-20H,3-7,11,18,21-25H2,1-2H3/b17-14+
InChIKey
WMBAZZALXUPHRU-SAPNQHFASA-N
Compound name
3-methyl-2-octyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.3362 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.34348 239.8
[M+Na]+ 542.32542 254.4
[M+NH4]+ 537.37002 242.7
[M+K]+ 558.29936 240.5
[M-H]- 518.32892 237.6
[M+Na-2H]- 540.31087 241.9
[M]+ 519.33565 240.6
[M]- 519.33675 240.6
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.