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]+ 386.16115 190.8
[M+Na]+ 408.14309 202.5
[M-H]- 384.14659 194.8
[M+NH4]+ 403.18769 198.8
[M+K]+ 424.11703 193.1
[M+H-H2O]+ 368.15113 172.6
[M+HCOO]- 430.15207 202.4
[M+CH3COO]- 444.16772 198.3
[M+Na-2H]- 406.12854 189.7
[M]+ 385.15332 187.1
[M]- 385.15442 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.