CID 24840167

4-morpholineacetamide, n-(4-chloro-2-(((2,4-dinitrophenyl)hydrazono)phenylmethyl)phenyl)-

Structural Information

Molecular Formula
C25H23ClN6O6
SMILES
C1COCCN1CC(=O)NC2=C(C=C(C=C2)Cl)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C4=CC=CC=C4
InChI
InChI=1S/C25H23ClN6O6/c26-18-6-8-21(27-24(33)16-30-10-12-38-13-11-30)20(14-18)25(17-4-2-1-3-5-17)29-28-22-9-7-19(31(34)35)15-23(22)32(36)37/h1-9,14-15,28H,10-13,16H2,(H,27,33)/b29-25+
InChIKey
YZYFAIZOCRJYNJ-XLVZBRSZSA-N
Compound name
N-[4-chloro-2-[(E)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]phenyl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.1368 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.14408 223.8
[M+Na]+ 561.12602 220.3
[M-H]- 537.12952 233.7
[M+NH4]+ 556.17062 222.4
[M+K]+ 577.09996 209.3
[M+H-H2O]+ 521.13406 219.2
[M+HCOO]- 583.13500 239.1
[M+CH3COO]- 597.15065 241.2
[M+Na-2H]- 559.11147 229.3
[M]+ 538.13625 218.7
[M]- 538.13735 218.7
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.