CID 183599

(4-phenylphenyl) n-(4-nitrophenyl)carbamate

Structural Information

Molecular Formula
C19H14N2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O4/c22-19(20-16-8-10-17(11-9-16)21(23)24)25-18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-13H,(H,20,22)
InChIKey
NVQXCEGPGWMJTJ-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) N-(4-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09537 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 175.9
[M+Na]+ 357.08459 180.1
[M-H]- 333.08809 185.3
[M+NH4]+ 352.12919 187.1
[M+K]+ 373.05853 172.2
[M+H-H2O]+ 317.09263 170.3
[M+HCOO]- 379.09357 201.1
[M+CH3COO]- 393.10922 204.4
[M+Na-2H]- 355.07004 182.6
[M]+ 334.09482 174.0
[M]- 334.09592 174.0
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.