CID 103666210

2137488-99-2

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CN(C)CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H24N2O4/c1-23(2)12-11-19(20(24)25)22-21(26)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKey
MDSKSOAVAVTJHJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.1736 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 188.2
[M+Na]+ 391.16282 191.7
[M-H]- 367.16632 192.8
[M+NH4]+ 386.20742 203.1
[M+K]+ 407.13676 189.4
[M+H-H2O]+ 351.17086 180.6
[M+HCOO]- 413.17180 208.1
[M+CH3COO]- 427.18745 223.5
[M+Na-2H]- 389.14827 188.9
[M]+ 368.17305 191.5
[M]- 368.17415 191.5
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.