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]+ 369.180876 188.2
[M+Na]+ 391.162818 191.7
[M-H]- 367.166324 192.8
[M+NH4]+ 386.207423 203.1
[M+K]+ 407.136758 189.4
[M+H-H2O]+ 351.170860 180.6
[M+HCOO]- 413.171801 208.1
[M+CH3COO]- 427.187451 223.5
[M+Na-2H]- 389.148266 188.9
[M]+ 368.17305142 191.5
[M]- 368.17414858 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.