CID 212923

Brn 3064410

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(COC(=O)N)(COC(=O)NCC#C)C1=CC=CC=C1
InChI
InChI=1S/C15H18N2O4/c1-3-9-17-14(19)21-11-15(2,10-20-13(16)18)12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3,(H2,16,18)(H,17,19)
InChIKey
NYQOOJAHHHPSQW-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-methyl-2-phenylpropyl) N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 169.6
[M+Na]+ 313.11587 176.9
[M+NH4]+ 308.16047 170.8
[M+K]+ 329.08981 170.0
[M-H]- 289.11937 161.3
[M+Na-2H]- 311.10132 169.7
[M]+ 290.12610 167.0
[M]- 290.12720 167.0
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.