CID 122155746

Fmoc-cycloheptyl-ala-oh

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CCCC(CC1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)23(15-17-9-3-1-2-4-10-17)26-25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,17,22-23H,1-4,9-10,15-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
QLVAHIRRBVTTMP-QHCPKHFHSA-N
Compound name
(2S)-3-cycloheptyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 198.0
[M+Na]+ 430.19888 198.3
[M-H]- 406.20238 204.6
[M+NH4]+ 425.24348 209.8
[M+K]+ 446.17282 198.0
[M+H-H2O]+ 390.20692 191.8
[M+HCOO]- 452.20786 212.0
[M+CH3COO]- 466.22351 223.3
[M+Na-2H]- 428.18433 196.1
[M]+ 407.20911 192.6
[M]- 407.21021 192.6
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.