CID 213163

Brn 3003194

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CNC(=O)OCC(COC(=O)N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O4/c1-20-17(22)24-13-18(12-23-16(19)21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,19,21)(H,20,22)
InChIKey
IUAJSHCDVDYLAJ-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2,2-diphenylpropyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 176.9
[M+Na]+ 351.131518 180.1
[M-H]- 327.135024 182.3
[M+NH4]+ 346.176123 189.0
[M+K]+ 367.105458 177.8
[M+H-H2O]+ 311.139560 168.1
[M+HCOO]- 373.140501 199.0
[M+CH3COO]- 387.156151 210.2
[M+Na-2H]- 349.116966 181.2
[M]+ 328.14175142 177.1
[M]- 328.14284858 177.1
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.