CID 7020778

158599-00-9

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN)C(=O)O
InChI
InChI=1S/C20H22N2O4/c21-11-5-10-18(19(23)24)22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey
ASLOVDWQFVNFRC-SFHVURJKSA-N
Compound name
(2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

354.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.0
[M+Na]+ 377.14718 191.9
[M+NH4]+ 372.19178 189.9
[M+K]+ 393.12112 188.7
[M-H]- 353.15068 185.2
[M+Na-2H]- 375.13263 185.8
[M]+ 354.15741 184.9
[M]- 354.15851 184.9
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