CID 12112626

684270-46-0

Structural Information

Molecular Formula
C18H16N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C18H16N4O4/c19-22-20-9-16(17(23)24)21-18(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,21,25)(H,23,24)/t16-/m0/s1
InChIKey
ZITYCUDVCWLHPG-INIZCTEOSA-N
Compound name
(2S)-3-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

352.11716 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12444 178.3
[M+Na]+ 375.10638 187.4
[M+NH4]+ 370.15098 184.5
[M+K]+ 391.08032 185.8
[M-H]- 351.10988 182.3
[M+Na-2H]- 373.09183 182.0
[M]+ 352.11661 180.1
[M]- 352.11771 180.1
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