CID 67187541

173911-21-2

Structural Information

Molecular Formula
C29H23NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O
InChI
InChI=1S/C29H23NO4/c31-28(32)22-7-5-6-21(16-22)20-14-12-19(13-15-20)17-30-29(33)34-18-27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-16,27H,17-18H2,(H,30,33)(H,31,32)
InChIKey
ISKYVDSKLGPEGI-UHFFFAOYSA-N
Compound name
3-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

449.16272 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17000 208.4
[M+Na]+ 472.15194 213.3
[M-H]- 448.15544 218.2
[M+NH4]+ 467.19654 218.9
[M+K]+ 488.12588 207.1
[M+H-H2O]+ 432.15998 198.4
[M+HCOO]- 494.16092 227.2
[M+CH3COO]- 508.17657 216.5
[M+Na-2H]- 470.13739 209.2
[M]+ 449.16217 209.7
[M]- 449.16327 209.7
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

patents stripe