CID 118793

6,7-dihydro-6-methyl-5h-dibenz(c,e)azepine

Structural Information

Molecular Formula
C15H15N
SMILES
CN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C15H15N/c1-16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3
InChIKey
HPEXVHVTTFAFRF-UHFFFAOYSA-N
Compound name
6-methyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 144.0
[M+Na]+ 232.109668 151.6
[M-H]- 208.113174 149.4
[M+NH4]+ 227.154273 162.9
[M+K]+ 248.083608 150.6
[M+H-H2O]+ 192.117710 138.5
[M+HCOO]- 254.118651 163.2
[M+CH3COO]- 268.134301 156.5
[M+Na-2H]- 230.095116 152.6
[M]+ 209.11990142 140.5
[M]- 209.12099858 140.5
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