CID 204379

16222-49-4

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]+ 306.17000 173.6
[M+Na]+ 328.15194 180.5
[M-H]- 304.15544 174.6
[M+NH4]+ 323.19654 186.2
[M+K]+ 344.12588 177.9
[M+H-H2O]+ 288.15998 160.5
[M+HCOO]- 350.16092 188.5
[M+CH3COO]- 364.17657 214.7
[M+Na-2H]- 326.13739 171.2
[M]+ 305.16217 171.8
[M]- 305.16327 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.