CID 86572690

Chembl3235936

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C16H19N3O3/c1-12-10-16(20)22-15-11-13(6-7-14(12)15)21-9-5-3-2-4-8-18-19-17/h6-7,10-11H,2-5,8-9H2,1H3
InChIKey
MWCZFBMIFZVAFV-UHFFFAOYSA-N
Compound name
7-(6-azidohexoxy)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.14264 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.1
[M+Na]+ 324.13186 176.9
[M-H]- 300.13536 177.6
[M+NH4]+ 319.17646 185.2
[M+K]+ 340.10580 170.2
[M+H-H2O]+ 284.13990 165.9
[M+HCOO]- 346.14084 198.6
[M+CH3COO]- 360.15649 209.0
[M+Na-2H]- 322.11731 180.1
[M]+ 301.14209 174.3
[M]- 301.14319 174.3
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

No patent data available for this compound.