CID 978353

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

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 186.7
[M+Na]+ 389.14718 191.3
[M-H]- 365.15068 190.2
[M+NH4]+ 384.19178 198.6
[M+K]+ 405.12112 186.5
[M+H-H2O]+ 349.15522 177.2
[M+HCOO]- 411.15616 199.4
[M+CH3COO]- 425.17181 194.7
[M+Na-2H]- 387.13263 186.6
[M]+ 366.15741 185.2
[M]- 366.15851 185.2
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