CID 9693406

N'-(4-((4-methylbenzyl)oxy)benzylidene)-2-(2-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C23H21N3O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C23H21N3O5/c1-17-6-8-19(9-7-17)15-30-20-12-10-18(11-13-20)14-24-25-23(27)16-31-22-5-3-2-4-21(22)26(28)29/h2-14H,15-16H2,1H3,(H,25,27)/b24-14+
InChIKey
YDLHFLZGRAEPTP-ZVHZXABRSA-N
Compound name
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14813 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15541 199.6
[M+Na]+ 442.13735 202.3
[M-H]- 418.14085 209.7
[M+NH4]+ 437.18195 207.6
[M+K]+ 458.11129 194.6
[M+H-H2O]+ 402.14539 192.3
[M+HCOO]- 464.14633 226.0
[M+CH3COO]- 478.16198 226.1
[M+Na-2H]- 440.12280 204.8
[M]+ 419.14758 200.9
[M]- 419.14868 200.9
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.