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

17
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 190.3
[M+Na]+ 390.16756 193.9
[M-H]- 366.17106 193.4
[M+NH4]+ 385.21216 205.0
[M+K]+ 406.14150 190.4
[M+H-H2O]+ 350.17560 183.2
[M+HCOO]- 412.17654 207.3
[M+CH3COO]- 426.19219 218.9
[M+Na-2H]- 388.15301 189.3
[M]+ 367.17779 192.8
[M]- 367.17889 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