CID 165800994

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylbutanoic acid

Structural Information

Molecular Formula
C25H23NO4
SMILES
CC(CC(=O)O)(C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c1-25(15-23(27)28,17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKey
BNDJOGHVHXIKDU-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 196.6
[M+Na]+ 424.15194 200.9
[M-H]- 400.15544 203.1
[M+NH4]+ 419.19654 209.4
[M+K]+ 440.12588 196.1
[M+H-H2O]+ 384.15998 188.5
[M+HCOO]- 446.16092 214.2
[M+CH3COO]- 460.17657 222.6
[M+Na-2H]- 422.13739 199.8
[M]+ 401.16217 198.2
[M]- 401.16327 198.2
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.