CID 165871773

2137856-05-2

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1CN(CCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O
InChI
InChI=1S/C23H26N2O4/c1-16-14-24(11-10-22(26)27)12-13-25(16)23(28)29-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-15H2,1H3,(H,26,27)
InChIKey
ANQMMUCRPPQMFP-UHFFFAOYSA-N
Compound name
3-[4-(9H-fluoren-9-ylmethoxycarbonyl)-3-methylpiperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18927 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 196.2
[M+Na]+ 417.178488 200.8
[M-H]- 393.181994 199.6
[M+NH4]+ 412.223093 207.3
[M+K]+ 433.152428 195.6
[M+H-H2O]+ 377.186530 186.7
[M+HCOO]- 439.187471 208.1
[M+CH3COO]- 453.203121 220.1
[M+Na-2H]- 415.163936 194.3
[M]+ 394.18872142 195.8
[M]- 394.18981858 195.8
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.