CID 204383

16222-55-2

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]+ 326.13868 180.9
[M+Na]+ 348.12062 187.9
[M-H]- 324.12412 183.8
[M+NH4]+ 343.16522 191.9
[M+K]+ 364.09456 182.5
[M+H-H2O]+ 308.12866 166.2
[M+HCOO]- 370.12960 197.0
[M+CH3COO]- 384.14525 214.4
[M+Na-2H]- 346.10607 181.1
[M]+ 325.13085 177.2
[M]- 325.13195 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.