CID 4712568

360781-30-2

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-14(2)11-12-20(21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKey
UJOQOPBFLFQOJJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

367.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.6
[M+Na]+ 390.16756 197.4
[M+NH4]+ 385.21216 194.7
[M+K]+ 406.14150 193.9
[M-H]- 366.17106 189.4
[M+Na-2H]- 388.15301 190.3
[M]+ 367.17779 189.7
[M]- 367.17889 189.7
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

patents stripe