CID 325267

8-methyldibenzo(b,f)(1,4)oxazepine

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=CC2=C(C=C1)OC3=CC=CC=C3C=N2
InChI
InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)15-9-11-4-2-3-5-13(11)16-14/h2-9H,1H3
InChIKey
KQLZLXUHKFVMTF-UHFFFAOYSA-N
Compound name
3-methylbenzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

209.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 141.3
[M+Na]+ 232.07328 150.5
[M-H]- 208.07678 147.8
[M+NH4]+ 227.11788 159.0
[M+K]+ 248.04722 151.2
[M+H-H2O]+ 192.08132 135.8
[M+HCOO]- 254.08226 161.6
[M+CH3COO]- 268.09791 154.7
[M+Na-2H]- 230.05873 152.0
[M]+ 209.08351 140.8
[M]- 209.08461 140.8
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

patents stripe