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

50
Patents

380.1736 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 188.6
[M+Na]+ 403.162818 191.8
[M-H]- 379.166324 193.1
[M+NH4]+ 398.207423 201.0
[M+K]+ 419.136758 187.2
[M+H-H2O]+ 363.170860 179.7
[M+HCOO]- 425.171801 203.3
[M+CH3COO]- 439.187451 218.4
[M+Na-2H]- 401.148266 188.9
[M]+ 380.17305142 186.4
[M]- 380.17414858 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