CID 16217272

1228077-93-7

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CC1(OC[C@H](O1)[C@@H](CN=[N+]=[N-])OCC2=CC=CC=C2)C
InChI
InChI=1S/C14H19N3O3/c1-14(2)19-10-13(20-14)12(8-16-17-15)18-9-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKey
YWANFIYHLHBBCF-OLZOCXBDSA-N
Compound name
(4S)-4-[(1R)-2-azido-1-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

277.14264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.2
[M+Na]+ 300.13186 169.3
[M-H]- 276.13536 174.9
[M+NH4]+ 295.17646 181.7
[M+K]+ 316.10580 165.7
[M+H-H2O]+ 260.13990 162.1
[M+HCOO]- 322.14084 191.7
[M+CH3COO]- 336.15649 200.7
[M+Na-2H]- 298.11731 173.7
[M]+ 277.14209 165.4
[M]- 277.14319 165.4
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