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]+ 395.19655 196.2
[M+Na]+ 417.17849 200.8
[M-H]- 393.18199 199.6
[M+NH4]+ 412.22309 207.3
[M+K]+ 433.15243 195.6
[M+H-H2O]+ 377.18653 186.7
[M+HCOO]- 439.18747 208.1
[M+CH3COO]- 453.20312 220.1
[M+Na-2H]- 415.16394 194.3
[M]+ 394.18872 195.8
[M]- 394.18982 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.