CID 3796448

4-[(4-methylphenyl)methoxy]benzoic acid 2-[(4-chloro-3-nitrophenyl)methylene]hydrazide

Structural Information

Molecular Formula
C22H18ClN3O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C22H18ClN3O4/c1-15-2-4-16(5-3-15)14-30-19-9-7-18(8-10-19)22(27)25-24-13-17-6-11-20(23)21(12-17)26(28)29/h2-13H,14H2,1H3,(H,25,27)
InChIKey
SRTIEPAWBQCPLF-UHFFFAOYSA-N
Compound name
N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.09857 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10585 201.6
[M+Na]+ 446.08779 206.4
[M-H]- 422.09129 211.8
[M+NH4]+ 441.13239 210.7
[M+K]+ 462.06173 196.9
[M+H-H2O]+ 406.09583 195.8
[M+HCOO]- 468.09677 223.6
[M+CH3COO]- 482.11242 225.7
[M+Na-2H]- 444.07324 205.5
[M]+ 423.09802 204.3
[M]- 423.09912 204.3
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.