CID 22569039

1072901-47-3

Structural Information

Molecular Formula
C23H19NO4
SMILES
CC1=C(C=CC=C1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO4/c1-14-15(22(25)26)11-6-12-21(14)24-23(27)28-13-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
PZBXPHGPGVUOMO-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

373.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 187.8
[M+Na]+ 396.12062 194.5
[M-H]- 372.12412 195.2
[M+NH4]+ 391.16522 202.4
[M+K]+ 412.09456 189.5
[M+H-H2O]+ 356.12866 179.8
[M+HCOO]- 418.12960 207.7
[M+CH3COO]- 432.14525 218.9
[M+Na-2H]- 394.10607 189.6
[M]+ 373.13085 190.1
[M]- 373.13195 190.1
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