CID 22559

6186-11-4

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O5/c23-20(27-19-12-8-17(9-13-19)22(24)25)21-16-6-10-18(11-7-16)26-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,21,23)
InChIKey
QBWSFSCKAULDFB-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N-(4-phenylmethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10593 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.113206 183.5
[M+Na]+ 387.095148 186.9
[M-H]- 363.098654 192.6
[M+NH4]+ 382.139753 193.3
[M+K]+ 403.069088 179.5
[M+H-H2O]+ 347.103190 177.3
[M+HCOO]- 409.104131 208.4
[M+CH3COO]- 423.119781 209.5
[M+Na-2H]- 385.080596 189.8
[M]+ 364.10538142 183.1
[M]- 364.10647858 183.1
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.