CID 1512629

1-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)cycloheptane-1-carboxylic acid

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 191.9
[M+Na]+ 402.16756 194.5
[M-H]- 378.17106 199.0
[M+NH4]+ 397.21216 206.8
[M+K]+ 418.14150 193.4
[M+H-H2O]+ 362.17560 185.7
[M+HCOO]- 424.17654 207.3
[M+CH3COO]- 438.19219 199.9
[M+Na-2H]- 400.15301 192.8
[M]+ 379.17779 186.6
[M]- 379.17889 186.6
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