CID 392513

Nsc693030

Structural Information

Molecular Formula
C20H16N4O
SMILES
C1CN(CC1O)C2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N
InChI
InChI=1S/C20H16N4O/c21-11-15-19(23-10-9-13(25)12-23)14-5-1-3-7-17(14)24-18-8-4-2-6-16(18)22-20(15)24/h1-8,13,25H,9-10,12H2
InChIKey
HNGVRYQZCVGLNG-UHFFFAOYSA-N
Compound name
5-(3-hydroxypyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13242 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 179.9
[M+Na]+ 351.12164 193.7
[M-H]- 327.12514 182.7
[M+NH4]+ 346.16624 193.7
[M+K]+ 367.09558 181.6
[M+H-H2O]+ 311.12968 164.0
[M+HCOO]- 373.13062 193.8
[M+CH3COO]- 387.14627 188.8
[M+Na-2H]- 349.10709 181.8
[M]+ 328.13187 176.0
[M]- 328.13297 176.0
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.