CID 393013

Nsc694262

Structural Information

Molecular Formula
C24H26N5O
SMILES
C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5CCOCC5)C#N
InChI
InChI=1S/C24H25N5O/c1-27-21-9-4-5-10-22(21)29-20-8-3-2-7-18(20)23(19(17-25)24(27)29)26-11-6-12-28-13-15-30-16-14-28/h2-5,7-10H,6,11-16H2,1H3/p+1
InChIKey
NYEYIAJOOCQNKS-UHFFFAOYSA-O
Compound name
7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.21375 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22103 199.8
[M+Na]+ 423.20297 210.0
[M-H]- 399.20647 202.4
[M+NH4]+ 418.24757 207.6
[M+K]+ 439.17691 194.1
[M+H-H2O]+ 383.21101 183.6
[M+HCOO]- 445.21195 210.9
[M+CH3COO]- 459.22760 205.9
[M+Na-2H]- 421.18842 205.1
[M]+ 400.21320 194.9
[M]- 400.21430 194.9
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.