CID 58903485

1197020-22-6

Structural Information

Molecular Formula
C22H25NO4
SMILES
CCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-2-3-4-13-20(21(24)25)23-22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
DSEDZIUESKRBOW-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

367.17834 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 190.0
[M+Na]+ 390.16756 193.9
[M-H]- 366.17106 193.0
[M+NH4]+ 385.21216 204.7
[M+K]+ 406.14150 189.8
[M+H-H2O]+ 350.17560 182.7
[M+HCOO]- 412.17654 208.0
[M+CH3COO]- 426.19219 218.0
[M+Na-2H]- 388.15301 190.2
[M]+ 367.17779 193.0
[M]- 367.17889 193.0
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