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]+ 329.139696 179.9
[M+Na]+ 351.121638 193.7
[M-H]- 327.125144 182.7
[M+NH4]+ 346.166243 193.7
[M+K]+ 367.095578 181.6
[M+H-H2O]+ 311.129680 164.0
[M+HCOO]- 373.130621 193.8
[M+CH3COO]- 387.146271 188.8
[M+Na-2H]- 349.107086 181.8
[M]+ 328.13187142 176.0
[M]- 328.13296858 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.