CID 2756150

2-(4-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)piperidin-1-yl)acetic acid

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C22H24N2O4/c25-21(26)13-24-11-9-15(10-12-24)23-22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,23,27)(H,25,26)
InChIKey
VLQJIWJYRZIBMP-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

380.1736 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 188.6
[M+Na]+ 403.16282 191.8
[M-H]- 379.16632 193.1
[M+NH4]+ 398.20742 201.0
[M+K]+ 419.13676 187.2
[M+H-H2O]+ 363.17086 179.7
[M+HCOO]- 425.17180 203.3
[M+CH3COO]- 439.18745 218.4
[M+Na-2H]- 401.14827 188.9
[M]+ 380.17305 186.4
[M]- 380.17415 186.4
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