CID 99807

17788-19-1

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCCC(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)C
InChI
InChI=1S/C16H24N2O3/c1-5-7-12(4)15(19)18-13-8-6-9-14(10-13)21-16(20)17-11(2)3/h6,8-12H,5,7H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
PLUKFZFGHUOEJW-UHFFFAOYSA-N
Compound name
[3-(2-methylpentanoylamino)phenyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 172.9
[M+Na]+ 315.16790 176.0
[M-H]- 291.17140 175.8
[M+NH4]+ 310.21250 187.6
[M+K]+ 331.14184 175.0
[M+H-H2O]+ 275.17594 165.3
[M+HCOO]- 337.17688 194.2
[M+CH3COO]- 351.19253 209.5
[M+Na-2H]- 313.15335 172.2
[M]+ 292.17813 174.3
[M]- 292.17923 174.3
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