CID 204383

Brn 2475682

Structural Information

Molecular Formula
C19H19NO4
SMILES
C#CCOCC(COC1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N
InChI
InChI=1S/C19H19NO4/c1-2-12-22-13-18(24-19(20)21)14-23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h1,3-11,18H,12-14H2,(H2,20,21)
InChIKey
HJUVJAPUEFRVTA-UHFFFAOYSA-N
Compound name
[1-(4-phenylphenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 180.9
[M+Na]+ 348.120618 187.9
[M-H]- 324.124124 183.8
[M+NH4]+ 343.165223 191.9
[M+K]+ 364.094558 182.5
[M+H-H2O]+ 308.128660 166.2
[M+HCOO]- 370.129601 197.0
[M+CH3COO]- 384.145251 214.4
[M+Na-2H]- 346.106066 181.1
[M]+ 325.13085142 177.2
[M]- 325.13194858 177.2
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.