CID 16213044

340168-99-2

Structural Information

Molecular Formula
C24H23NO3
SMILES
C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C24H23NO3/c1-17(19-11-5-3-6-12-19)25(18(2)20-13-7-4-8-14-20)23(26)21-15-9-10-16-22(21)24(27)28/h3-18H,1-2H3,(H,27,28)/t17-,18-/m0/s1
InChIKey
NCYIVOVUPRJYNJ-ROUUACIJSA-N
Compound name
2-[bis[(1S)-1-phenylethyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

373.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.175076 190.8
[M+Na]+ 396.157018 192.9
[M-H]- 372.160524 199.4
[M+NH4]+ 391.201623 200.8
[M+K]+ 412.130958 189.8
[M+H-H2O]+ 356.165060 180.8
[M+HCOO]- 418.166001 209.8
[M+CH3COO]- 432.181651 222.2
[M+Na-2H]- 394.142466 189.8
[M]+ 373.16725142 189.9
[M]- 373.16834858 189.9
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