CID 204379

Brn 2474587

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(COCC#C)OC(=O)N
InChI
InChI=1S/C17H23NO4/c1-5-8-20-10-14(22-17(18)19)11-21-16-9-13(4)6-7-15(16)12(2)3/h1,6-7,9,12,14H,8,10-11H2,2-4H3,(H2,18,19)
InChIKey
NUNDVWLZTMCSSM-UHFFFAOYSA-N
Compound name
[1-(5-methyl-2-propan-2-ylphenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 173.6
[M+Na]+ 328.151938 180.5
[M-H]- 304.155444 174.6
[M+NH4]+ 323.196543 186.2
[M+K]+ 344.125878 177.9
[M+H-H2O]+ 288.159980 160.5
[M+HCOO]- 350.160921 188.5
[M+CH3COO]- 364.176571 214.7
[M+Na-2H]- 326.137386 171.2
[M]+ 305.16217142 171.8
[M]- 305.16326858 171.8
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.