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

27681
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

literature stripe

Patent stripe

patents stripe