CID 4325980

611197-76-3

Structural Information

Molecular Formula
C20H25N5
SMILES
CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCN(C)C)C#N
InChI
InChI=1S/C20H25N5/c1-14(2)15-12-19(22-10-7-11-24(3)4)25-18-9-6-5-8-17(18)23-20(25)16(15)13-21/h5-6,8-9,12,14,22H,7,10-11H2,1-4H3
InChIKey
BDDZOGCAAQKYOG-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.211 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 185.6
[M+Na]+ 358.20022 195.1
[M-H]- 334.20372 187.8
[M+NH4]+ 353.24482 198.9
[M+K]+ 374.17416 188.2
[M+H-H2O]+ 318.20826 169.5
[M+HCOO]- 380.20920 202.9
[M+CH3COO]- 394.22485 231.8
[M+Na-2H]- 356.18567 187.5
[M]+ 335.21045 184.4
[M]- 335.21155 184.4
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.