CID 138005991

2241142-01-6

Structural Information

Molecular Formula
C27H21NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=CC5=C4C=CC(=C5)C(=O)O
InChI
InChI=1S/C27H21NO4/c29-26(30)18-12-13-20-17(14-18)6-5-7-19(20)15-28-27(31)32-16-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-14,25H,15-16H2,(H,28,31)(H,29,30)
InChIKey
PWFBFQPVURVVCG-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.14706 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15434 202.4
[M+Na]+ 446.13628 216.5
[M+NH4]+ 441.18088 210.4
[M+K]+ 462.11022 209.4
[M-H]- 422.13978 207.9
[M+Na-2H]- 444.12173 208.4
[M]+ 423.14651 206.0
[M]- 423.14761 206.0
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.