CID 350141

4-nitrotriphenylamine

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O2/c21-20(22)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKey
UQOKZDUUBVGFAK-UHFFFAOYSA-N
Compound name
4-nitro-N,N-diphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

66
Patents

290.10553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 165.7
[M+Na]+ 313.09475 169.9
[M-H]- 289.09825 176.1
[M+NH4]+ 308.13935 179.3
[M+K]+ 329.06869 162.2
[M+H-H2O]+ 273.10279 160.3
[M+HCOO]- 335.10373 192.2
[M+CH3COO]- 349.11938 201.1
[M+Na-2H]- 311.08020 173.6
[M]+ 290.10498 163.0
[M]- 290.10608 163.0
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