CID 1132316

313650-01-0

Structural Information

Molecular Formula
C22H19N5O2
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)C5=CC=CO5)C#N
InChI
InChI=1S/C22H19N5O2/c1-15-13-20(25-8-10-26(11-9-25)22(28)19-7-4-12-29-19)27-18-6-3-2-5-17(18)24-21(27)16(15)14-23/h2-7,12-13H,8-11H2,1H3
InChIKey
KVAILZZJCSUYHY-UHFFFAOYSA-N
Compound name
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.15387 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.161146 190.8
[M+Na]+ 408.143088 202.5
[M-H]- 384.146594 194.8
[M+NH4]+ 403.187693 198.8
[M+K]+ 424.117028 193.1
[M+H-H2O]+ 368.151130 172.6
[M+HCOO]- 430.152071 202.4
[M+CH3COO]- 444.167721 198.3
[M+Na-2H]- 406.128536 189.7
[M]+ 385.15332142 187.1
[M]- 385.15441858 187.1
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.