CID 373970

Nsc651002

Structural Information

Molecular Formula
C16H13NO3
SMILES
C=CCN1CC2=CC3=C4C(=C2OC1)C=CC=C4C(=O)O3
InChI
InChI=1S/C16H13NO3/c1-2-6-17-8-10-7-13-14-11(15(10)19-9-17)4-3-5-12(14)16(18)20-13/h2-5,7H,1,6,8-9H2
InChIKey
DRWCRTYHFMYYAE-UHFFFAOYSA-N
Compound name
5-prop-2-enyl-3,10-dioxa-5-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,9(16),12,14-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 157.7
[M+Na]+ 290.07876 167.3
[M-H]- 266.08226 163.3
[M+NH4]+ 285.12336 175.5
[M+K]+ 306.05270 164.5
[M+H-H2O]+ 250.08680 150.8
[M+HCOO]- 312.08774 173.5
[M+CH3COO]- 326.10339 170.1
[M+Na-2H]- 288.06421 164.1
[M]+ 267.08899 160.7
[M]- 267.09009 160.7
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.