CID 165894011

2580200-80-0

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1CC1(C2=CC=CC=C2C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO4/c27-23(28)20-11-5-6-12-22(20)25(13-14-25)26-24(29)30-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-12,21H,13-15H2,(H,26,29)(H,27,28)
InChIKey
HWWCHZDROCPSDH-UHFFFAOYSA-N
Compound name
2-[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]+ 400.154336 188.9
[M+Na]+ 422.136278 196.7
[M-H]- 398.139784 199.1
[M+NH4]+ 417.180883 199.3
[M+K]+ 438.110218 191.2
[M+H-H2O]+ 382.144320 181.8
[M+HCOO]- 444.145261 208.1
[M+CH3COO]- 458.160911 198.4
[M+Na-2H]- 420.121726 192.1
[M]+ 399.14651142 193.0
[M]- 399.14760858 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.