CID 9622642

N'-(3-nitrobenzylidene)dodecanohydrazide

Structural Information

Molecular Formula
C19H29N3O3
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C19H29N3O3/c1-2-3-4-5-6-7-8-9-10-14-19(23)21-20-16-17-12-11-13-18(15-17)22(24)25/h11-13,15-16H,2-10,14H2,1H3,(H,21,23)/b20-16+
InChIKey
BDNBGGUKSWDGQS-CAPFRKAQSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2209 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22818 188.3
[M+Na]+ 370.21012 189.9
[M-H]- 346.21362 191.4
[M+NH4]+ 365.25472 200.5
[M+K]+ 386.18406 182.5
[M+H-H2O]+ 330.21816 183.8
[M+HCOO]- 392.21910 213.6
[M+CH3COO]- 406.23475 215.9
[M+Na-2H]- 368.19557 191.3
[M]+ 347.22035 190.4
[M]- 347.22145 190.4
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.