CID 5467172

Nsc647660

Structural Information

Molecular Formula
C25H21N3O2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1/C=N/NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21N3O2/c1-2-30-25(29)24-22(17-26-28-19-13-7-4-8-14-19)27-21-16-10-9-15-20(21)23(24)18-11-5-3-6-12-18/h3-17,28H,2H2,1H3/b26-17+
InChIKey
YYUDNZKYFWUNOB-YZSQISJMSA-N
Compound name
ethyl 4-phenyl-2-[(E)-(phenylhydrazinylidene)methyl]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1634 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 196.2
[M+Na]+ 418.15262 201.9
[M-H]- 394.15612 205.9
[M+NH4]+ 413.19722 205.9
[M+K]+ 434.12656 195.5
[M+H-H2O]+ 378.16066 183.9
[M+HCOO]- 440.16160 219.3
[M+CH3COO]- 454.17725 205.3
[M+Na-2H]- 416.13807 202.1
[M]+ 395.16285 197.3
[M]- 395.16395 197.3
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.