CID 985922

307327-41-9

Structural Information

Molecular Formula
C23H27N5
SMILES
CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC(=C)C
InChI
InChI=1S/C23H27N5/c1-5-18-17(4)19(14-24)22-25-20-8-6-7-9-21(20)28(22)23(18)27-12-10-26(11-13-27)15-16(2)3/h6-9H,2,5,10-13,15H2,1,3-4H3
InChIKey
HRLJCXGZQHBZTQ-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-1-[4-(2-methylprop-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

373.22665 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23393 193.4
[M+Na]+ 396.21587 203.6
[M-H]- 372.21937 193.8
[M+NH4]+ 391.26047 202.3
[M+K]+ 412.18981 192.8
[M+H-H2O]+ 356.22391 175.4
[M+HCOO]- 418.22485 202.3
[M+CH3COO]- 432.24050 199.7
[M+Na-2H]- 394.20132 191.3
[M]+ 373.22610 187.8
[M]- 373.22720 187.8
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.