CID 22569037

Fmoc-2-amino-6-methylbenzoic acid

Structural Information

Molecular Formula
C23H19NO4
SMILES
CC1=C(C(=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO4/c1-14-7-6-12-20(21(14)22(25)26)24-23(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-12,19H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
GXUAWDMYWAUCOJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

373.1314 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 188.7
[M+Na]+ 396.12062 201.8
[M+NH4]+ 391.16522 196.2
[M+K]+ 412.09456 196.2
[M-H]- 372.12412 193.1
[M+Na-2H]- 394.10607 194.5
[M]+ 373.13085 191.7
[M]- 373.13195 191.7
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