CID 24777130

2-[n-(n-methoxy-benzylidene)-hydrazino] quinoline-4-carboxylic acid benzylimide

Structural Information

Molecular Formula
C25H22N4O2
SMILES
COC1=CC=C(C=C1)/C=N/NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2/c1-31-20-13-11-19(12-14-20)17-27-29-24-15-22(21-9-5-6-10-23(21)28-24)25(30)26-16-18-7-3-2-4-8-18/h2-15,17H,16H2,1H3,(H,26,30)(H,28,29)/b27-17+
InChIKey
DEOZEZVLNWIARR-WPWMEQJKSA-N
Compound name
N-benzyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1743 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 197.7
[M+Na]+ 433.16352 202.5
[M-H]- 409.16702 207.4
[M+NH4]+ 428.20812 206.5
[M+K]+ 449.13746 196.4
[M+H-H2O]+ 393.17156 185.2
[M+HCOO]- 455.17250 221.9
[M+CH3COO]- 469.18815 206.4
[M+Na-2H]- 431.14897 204.6
[M]+ 410.17375 198.4
[M]- 410.17485 198.4
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.