CID 3258407

612037-95-3

Structural Information

Molecular Formula
C24H31N5
SMILES
CCN(CC)CCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC(=C)C
InChI
InChI=1S/C24H31N5/c1-6-28(7-2)14-10-13-26-23-19(15-17(3)4)18(5)20(16-25)24-27-21-11-8-9-12-22(21)29(23)24/h8-9,11-12,26H,3,6-7,10,13-15H2,1-2,4-5H3
InChIKey
MTDJLYRNZKODDY-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propylamino]-3-methyl-2-(2-methylprop-2-enyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

389.25793 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.26521 202.1
[M+Na]+ 412.24715 211.0
[M-H]- 388.25065 204.0
[M+NH4]+ 407.29175 213.5
[M+K]+ 428.22109 202.8
[M+H-H2O]+ 372.25519 185.6
[M+HCOO]- 434.25613 218.2
[M+CH3COO]- 448.27178 242.7
[M+Na-2H]- 410.23260 201.4
[M]+ 389.25738 201.7
[M]- 389.25848 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.