CID 7010541

84624-28-2

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C21H24N2O4/c22-19(20(24)25)11-5-6-12-23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
RAQBUPMYCNRBCQ-IBGZPJMESA-N
Compound name
(2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

368.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 187.5
[M+Na]+ 391.16282 190.9
[M-H]- 367.16632 190.2
[M+NH4]+ 386.20742 201.6
[M+K]+ 407.13676 187.0
[M+H-H2O]+ 351.17086 180.1
[M+HCOO]- 413.17180 206.3
[M+CH3COO]- 427.18745 219.9
[M+Na-2H]- 389.14827 188.1
[M]+ 368.17305 188.6
[M]- 368.17415 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe