CID 9556697

26707-18-6

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C
InChI
InChI=1S/C16H15N3O3/c1-11-6-8-13(9-7-11)12(2)17-18-16(20)14-4-3-5-15(10-14)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-12+
InChIKey
ZQPZMUGGEJZLNN-SFQUDFHCSA-N
Compound name
N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.118606 167.1
[M+Na]+ 320.100548 171.6
[M-H]- 296.104054 174.9
[M+NH4]+ 315.145153 180.9
[M+K]+ 336.074488 164.9
[M+H-H2O]+ 280.108590 162.8
[M+HCOO]- 342.109531 193.8
[M+CH3COO]- 356.125181 204.4
[M+Na-2H]- 318.085996 172.5
[M]+ 297.11078142 165.3
[M]- 297.11187858 165.3
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.