CID 1512629

188751-56-6

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCCC(CC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c25-21(26)23(13-7-1-2-8-14-23)24-22(27)28-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15H2,(H,24,27)(H,25,26)
InChIKey
KTXGWSABCZHTNH-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

379.17834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 189.3
[M+Na]+ 402.16756 196.8
[M+NH4]+ 397.21216 197.0
[M+K]+ 418.14150 191.8
[M-H]- 378.17106 192.2
[M+Na-2H]- 400.15301 194.0
[M]+ 379.17779 191.1
[M]- 379.17889 191.1
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