CID 15956909

Schembl8936648

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C/C=C/CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O
InChI
InChI=1S/C16H14N2O2/c1-2-3-11-18-13-8-6-10-17-15(13)20-14-9-5-4-7-12(14)16(18)19/h2-10H,11H2,1H3/b3-2+
InChIKey
OEMXDSFSCPQHFB-NSCUHMNNSA-N
Compound name
5-[(E)-but-2-enyl]pyrido[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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.4
[M+Na]+ 289.09475 167.2
[M-H]- 265.09825 163.2
[M+NH4]+ 284.13935 172.6
[M+K]+ 305.06869 167.0
[M+H-H2O]+ 249.10279 150.8
[M+HCOO]- 311.10373 175.8
[M+CH3COO]- 325.11938 169.9
[M+Na-2H]- 287.08020 166.2
[M]+ 266.10498 157.9
[M]- 266.10608 157.9
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

patents stripe