CID 132343749

2137629-53-7

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO4/c27-23(28)16-9-11-17(12-10-16)25(13-14-25)26-24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,26,29)(H,27,28)
InChIKey
FOUHNMYXKFDJII-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 188.9
[M+Na]+ 422.13628 196.7
[M-H]- 398.13978 199.1
[M+NH4]+ 417.18088 199.3
[M+K]+ 438.11022 191.2
[M+H-H2O]+ 382.14432 181.8
[M+HCOO]- 444.14526 208.1
[M+CH3COO]- 458.16091 198.4
[M+Na-2H]- 420.12173 192.1
[M]+ 399.14651 193.0
[M]- 399.14761 193.0
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.