CID 66870

Diphenyl (methylenedi-4,1-phenylene)-dicarbamate

Structural Information

Molecular Formula
C27H22N2O4
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4
InChI
InChI=1S/C27H22N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKey
LKYATCXVAUHHMS-UHFFFAOYSA-N
Compound name
phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

438.15796 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 205.4
[M+Na]+ 461.14718 208.1
[M-H]- 437.15068 216.9
[M+NH4]+ 456.19178 212.2
[M+K]+ 477.12112 203.3
[M+H-H2O]+ 421.15522 193.0
[M+HCOO]- 483.15616 228.5
[M+CH3COO]- 497.17181 231.1
[M+Na-2H]- 459.13263 208.8
[M]+ 438.15741 205.1
[M]- 438.15851 205.1
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.