CID 377277

Nsc658530

Structural Information

Molecular Formula
C23H27N5O2
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCN4CCOCC4)N5CCOCC5)C#N
InChI
InChI=1S/C23H27N5O2/c1-17-18(6-7-26-8-12-29-13-9-26)23(27-10-14-30-15-11-27)28-21-5-3-2-4-20(21)25-22(28)19(17)16-24/h2-5H,6-15H2,1H3
InChIKey
KWJOJQVAUAZFNS-UHFFFAOYSA-N
Compound name
3-methyl-1-morpholin-4-yl-2-(2-morpholin-4-ylethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.21646 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 191.6
[M+Na]+ 428.20568 200.1
[M-H]- 404.20918 194.1
[M+NH4]+ 423.25028 195.9
[M+K]+ 444.17962 191.3
[M+H-H2O]+ 388.21372 172.0
[M+HCOO]- 450.21466 197.1
[M+CH3COO]- 464.23031 197.0
[M+Na-2H]- 426.19113 191.0
[M]+ 405.21591 184.1
[M]- 405.21701 184.1
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.