CID 15956910

Schembl8936638

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=C2C(=CC=C1)C(=O)N(C3=C(O2)N=CC=C3)CC=C
InChI
InChI=1S/C16H14N2O2/c1-3-10-18-13-8-5-9-17-15(13)20-14-11(2)6-4-7-12(14)16(18)19/h3-9H,1,10H2,2H3
InChIKey
LYUMXSVOPQWXNK-UHFFFAOYSA-N
Compound name
10-methyl-5-prop-2-enylpyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.5
[M+Na]+ 289.09475 168.0
[M-H]- 265.09825 163.6
[M+NH4]+ 284.13935 172.9
[M+K]+ 305.06869 167.9
[M+H-H2O]+ 249.10279 151.0
[M+HCOO]- 311.10373 175.8
[M+CH3COO]- 325.11938 170.2
[M+Na-2H]- 287.08020 165.6
[M]+ 266.10498 158.4
[M]- 266.10608 158.4
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