CID 103663771

1262629-25-3

Structural Information

Molecular Formula
C25H23NO4
SMILES
CC1=CC(=CC(=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C25H23NO4/c1-15-11-16(2)13-17(12-15)23(24(27)28)26-25(29)30-14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13,22-23H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKey
KIAHYBHCJZLAKK-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.169996 197.1
[M+Na]+ 424.151938 202.5
[M-H]- 400.155444 204.2
[M+NH4]+ 419.196543 210.3
[M+K]+ 440.125878 197.8
[M+H-H2O]+ 384.159980 189.0
[M+HCOO]- 446.160921 215.2
[M+CH3COO]- 460.176571 225.6
[M+Na-2H]- 422.137386 196.7
[M]+ 401.16217142 199.4
[M]- 401.16326858 199.4
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.