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

26
Patents

367.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.3
[M+Na]+ 390.167558 193.9
[M-H]- 366.171064 193.4
[M+NH4]+ 385.212163 205.0
[M+K]+ 406.141498 190.4
[M+H-H2O]+ 350.175600 183.2
[M+HCOO]- 412.176541 207.3
[M+CH3COO]- 426.192191 218.9
[M+Na-2H]- 388.153006 189.3
[M]+ 367.17779142 192.8
[M]- 367.17888858 192.8
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

patents stripe