CID 138987909

2305253-63-6

Structural Information

Molecular Formula
C27H26N2O4
SMILES
C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5C(=O)O
InChI
InChI=1S/C27H26N2O4/c30-26(31)23-11-5-6-12-25(23)29-15-13-18(14-16-29)28-27(32)33-17-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-12,18,24H,13-17H2,(H,28,32)(H,30,31)
InChIKey
OYGUNHQJHWHLJO-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18927 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.196546 204.3
[M+Na]+ 465.178488 207.1
[M-H]- 441.181994 211.9
[M+NH4]+ 460.223093 213.5
[M+K]+ 481.152428 201.4
[M+H-H2O]+ 425.186530 193.8
[M+HCOO]- 487.187471 218.3
[M+CH3COO]- 501.203121 211.0
[M+Na-2H]- 463.163936 203.5
[M]+ 442.18872142 201.3
[M]- 442.18981858 201.3
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.