CID 99337

7450-63-7

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC
InChI
InChI=1S/C17H18N2O4/c1-22-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
IDMPEWXHBJHVIQ-UHFFFAOYSA-N
Compound name
methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

314.12665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 174.0
[M+Na]+ 337.11587 185.0
[M+NH4]+ 332.16047 179.9
[M+K]+ 353.08981 179.2
[M-H]- 313.11937 177.6
[M+Na-2H]- 335.10132 181.0
[M]+ 314.12610 176.2
[M]- 314.12720 176.2
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