CID 132350918

2137506-61-5

Structural Information

Molecular Formula
C21H22N2O4
SMILES
CN1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H22N2O4/c1-22-10-11-23(12-19(22)20(24)25)21(26)27-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-13H2,1H3,(H,24,25)
InChIKey
VLKLPDXPWJKDCQ-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)-1-methylpiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 192.7
[M-H]- 365.15068 191.1
[M+NH4]+ 384.19178 199.5
[M+K]+ 405.12112 188.0
[M+H-H2O]+ 349.15522 178.1
[M+HCOO]- 411.15616 199.9
[M+CH3COO]- 425.17181 195.6
[M+Na-2H]- 387.13263 186.4
[M]+ 366.15741 186.2
[M]- 366.15851 186.2
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

No patent data available for this compound.