CID 36733

Promacyl

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCCC(=O)CNC(=O)OC1=CC(=CC(=C1)C(C)C)C
InChI
InChI=1S/C16H23NO3/c1-5-6-14(18)10-17-16(19)20-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,17,19)
InChIKey
GGRLUNQHANDPSC-UHFFFAOYSA-N
Compound name
(3-methyl-5-propan-2-ylphenyl) N-(2-oxopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3625
Patents

277.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 167.4
[M+Na]+ 300.15702 177.1
[M+NH4]+ 295.20162 173.3
[M+K]+ 316.13096 172.0
[M-H]- 276.16052 168.2
[M+Na-2H]- 298.14247 170.9
[M]+ 277.16725 168.7
[M]- 277.16835 168.7
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

patents stripe