CID 978353

180576-05-0

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1CN(CCN1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H22N2O4/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)
InChIKey
XNWPGFGLHGFRRP-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

366.15796 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 187.2
[M+Na]+ 389.14718 198.4
[M+NH4]+ 384.19178 193.7
[M+K]+ 405.12112 194.0
[M-H]- 365.15068 189.1
[M+Na-2H]- 387.13263 190.5
[M]+ 366.15741 189.0
[M]- 366.15851 189.0
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