CID 25146166

1097192-05-6

Structural Information

Molecular Formula
C22H21NO4
SMILES
C#CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H21NO4/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/h1,5-12,19-20H,3-4,13-14H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
YWCKIQCRKHNUOY-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hept-6-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

363.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 189.3
[M+Na]+ 386.13628 198.5
[M+NH4]+ 381.18088 191.9
[M+K]+ 402.11022 190.7
[M-H]- 362.13978 182.0
[M+Na-2H]- 384.12173 188.2
[M]+ 363.14651 187.4
[M]- 363.14761 187.4
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