CID 1501851

Fmoc-3-abz-oh

Structural Information

Molecular Formula
C22H17NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C(=O)O
InChI
InChI=1S/C22H17NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
InChIKey
VFXDSSUGFNVDJP-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

359.11575 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12303 184.3
[M+Na]+ 382.10497 197.2
[M+NH4]+ 377.14957 191.9
[M+K]+ 398.07891 191.7
[M-H]- 358.10847 188.7
[M+Na-2H]- 380.09042 190.5
[M]+ 359.11520 187.2
[M]- 359.11630 187.2
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

patents stripe