CID 9569533

Nsc404149

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CCC(CC)/C=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O3/c1-3-10(4-2)9-14-15-13(17)11-5-7-12(8-6-11)16(18)19/h5-10H,3-4H2,1-2H3,(H,15,17)/b14-9+
InChIKey
VSKNYMJHMKXCLE-NTEUORMPSA-N
Compound name
N-[(E)-2-ethylbutylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.2
[M+Na]+ 286.11620 164.3
[M-H]- 262.11970 164.7
[M+NH4]+ 281.16080 175.8
[M+K]+ 302.09014 158.8
[M+H-H2O]+ 246.12424 157.1
[M+HCOO]- 308.12518 186.6
[M+CH3COO]- 322.14083 198.4
[M+Na-2H]- 284.10165 165.2
[M]+ 263.12643 159.6
[M]- 263.12753 159.6
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.