CID 3296415

1214028-21-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

401.16272 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 196.5
[M+Na]+ 424.15194 199.8
[M-H]- 400.15544 202.9
[M+NH4]+ 419.19654 209.1
[M+K]+ 440.12588 195.5
[M+H-H2O]+ 384.15998 188.2
[M+HCOO]- 446.16092 213.7
[M+CH3COO]- 460.17657 224.0
[M+Na-2H]- 422.13739 196.4
[M]+ 401.16217 197.4
[M]- 401.16327 197.4
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

patents stripe