CID 19658588

N-(3-chloro-2-methylphenyl)-2-(2-(4-((4-methylbenzyl)oxy)benzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C24H22ClN3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=C(C(=CC=C3)Cl)C
InChI
InChI=1S/C24H22ClN3O3/c1-16-6-8-19(9-7-16)15-31-20-12-10-18(11-13-20)14-26-28-24(30)23(29)27-22-5-3-4-21(25)17(22)2/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14+
InChIKey
ZEROQRYUMQAXRS-VULFUBBASA-N
Compound name
N-(3-chloro-2-methylphenyl)-N'-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.13498 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14226 206.7
[M+Na]+ 458.12420 212.5
[M-H]- 434.12770 217.4
[M+NH4]+ 453.16880 216.5
[M+K]+ 474.09814 206.6
[M+H-H2O]+ 418.13224 196.4
[M+HCOO]- 480.13318 228.0
[M+CH3COO]- 494.14883 236.7
[M+Na-2H]- 456.10965 207.9
[M]+ 435.13443 211.0
[M]- 435.13553 211.0
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.