CID 97256

1,3-propanediol, 2,2-diphenyl-, dicarbamate

Structural Information

Molecular Formula
C17H18N2O4
SMILES
C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H18N2O4/c18-15(20)22-11-17(12-23-16(19)21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,20)(H2,19,21)
InChIKey
YAMNETATHGQXBZ-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2,2-diphenylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 173.2
[M+Na]+ 337.11587 182.4
[M+NH4]+ 332.16047 178.6
[M+K]+ 353.08981 178.2
[M-H]- 313.11937 175.7
[M+Na-2H]- 335.10132 179.7
[M]+ 314.12610 174.9
[M]- 314.12720 174.9
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

patents stripe