CID 372525

Nsc647659

Structural Information

Molecular Formula
C24H21N3O2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1NNC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O2/c1-2-29-24(28)22-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)25-23(22)27-26-18-13-7-4-8-14-18/h3-16,26H,2H2,1H3,(H,25,27)
InChIKey
IPESHNTZHMXLMX-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-2-(2-phenylhydrazinyl)quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1634 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17068 191.4
[M+Na]+ 406.15262 196.8
[M-H]- 382.15612 200.1
[M+NH4]+ 401.19722 201.1
[M+K]+ 422.12656 190.5
[M+H-H2O]+ 366.16066 179.7
[M+HCOO]- 428.16160 213.3
[M+CH3COO]- 442.17725 200.4
[M+Na-2H]- 404.13807 197.7
[M]+ 383.16285 191.4
[M]- 383.16395 191.4
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.