CID 6436771

3078-09-9

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+
InChIKey
NOIFWEYOLLHIMW-GXDHUFHOSA-N
Compound name
N-[(E)-benzylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

8
Patents

241.08513 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 150.2
[M+Na]+ 264.074348 155.5
[M-H]- 240.077854 158.0
[M+NH4]+ 259.118953 166.3
[M+K]+ 280.048288 148.3
[M+H-H2O]+ 224.082390 146.3
[M+HCOO]- 286.083331 179.6
[M+CH3COO]- 300.098981 192.3
[M+Na-2H]- 262.059796 160.2
[M]+ 241.08458142 147.8
[M]- 241.08567858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe