CID 24744

Phenmedipham

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC
InChI
InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
IDOWTHOLJBTAFI-UHFFFAOYSA-N
Compound name
[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

42
References

30149
Patents

300.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.3
[M+Na]+ 323.10022 173.9
[M-H]- 299.10372 175.1
[M+NH4]+ 318.14482 182.5
[M+K]+ 339.07416 172.0
[M+H-H2O]+ 283.10826 159.6
[M+HCOO]- 345.10920 193.3
[M+CH3COO]- 359.12485 206.2
[M+Na-2H]- 321.08567 172.2
[M]+ 300.11045 170.1
[M]- 300.11155 170.1
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.