CID 381886

4-azido-3-benzyl-coumarin

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)N=[N+]=[N-]
InChI
InChI=1S/C16H11N3O2/c17-19-18-15-12-8-4-5-9-14(12)21-16(20)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
JWAAQFVXTPWWFH-UHFFFAOYSA-N
Compound name
4-azido-3-benzylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 160.6
[M+Na]+ 300.07432 168.7
[M-H]- 276.07782 171.7
[M+NH4]+ 295.11892 176.1
[M+K]+ 316.04826 160.8
[M+H-H2O]+ 260.08236 155.7
[M+HCOO]- 322.08330 190.1
[M+CH3COO]- 336.09895 202.8
[M+Na-2H]- 298.05977 172.8
[M]+ 277.08455 160.9
[M]- 277.08565 160.9
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

No patent data available for this compound.