CID 9682223

N'-(4-butoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O5/c1-2-3-12-26-17-8-4-15(5-9-17)13-20-21-19(23)14-27-18-10-6-16(7-11-18)22(24)25/h4-11,13H,2-3,12,14H2,1H3,(H,21,23)/b20-13+
InChIKey
USISGISPCBFFKA-DEDYPNTBSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14813 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.155406 186.9
[M+Na]+ 394.137348 189.7
[M-H]- 370.140854 193.9
[M+NH4]+ 389.181953 197.4
[M+K]+ 410.111288 183.1
[M+H-H2O]+ 354.145390 181.1
[M+HCOO]- 416.146331 213.7
[M+CH3COO]- 430.161981 216.9
[M+Na-2H]- 392.122796 192.3
[M]+ 371.14758142 189.3
[M]- 371.14867858 189.3
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.