CID 137698922

2137787-51-8

Structural Information

Molecular Formula
C24H21NO5
SMILES
COC1=C(C=C(C=C1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H21NO5/c1-29-22-11-10-15(12-20(22)23(26)27)13-25-24(28)30-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKey
YTCVRSJLQJQQDN-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14197 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 194.8
[M+Na]+ 426.13119 200.8
[M-H]- 402.13469 202.0
[M+NH4]+ 421.17579 208.0
[M+K]+ 442.10513 196.4
[M+H-H2O]+ 386.13923 186.4
[M+HCOO]- 448.14017 214.5
[M+CH3COO]- 462.15582 224.0
[M+Na-2H]- 424.11664 196.3
[M]+ 403.14142 198.8
[M]- 403.14252 198.8
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.