CID 75039361

Ns00116994

Structural Information

Molecular Formula
C19H27NO4
SMILES
CC(CO)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H27NO4/c1-13(12-21)15-7-9-16(10-8-15)18(22)20-17(19(23)24)11-14-5-3-2-4-6-14/h2-6,13,15-17,21H,7-12H2,1H3,(H,20,22)(H,23,24)
InChIKey
GMHTWYIGIMINLF-UHFFFAOYSA-N
Compound name
2-[[4-(1-hydroxypropan-2-yl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 181.3
[M+Na]+ 356.18322 188.0
[M+NH4]+ 351.22782 186.2
[M+K]+ 372.15716 184.3
[M-H]- 332.18672 182.4
[M+Na-2H]- 354.16867 183.8
[M]+ 333.19345 181.9
[M]- 333.19455 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.