CID 12923429

7,8-dimethoxy-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=C(C=C2CCNCCC2=C1)OC
InChI
InChI=1S/C12H17NO2/c1-14-11-7-9-3-5-13-6-4-10(9)8-12(11)15-2/h7-8,13H,3-6H2,1-2H3
InChIKey
MHKDOURMQPZPAG-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 142.2
[M+Na]+ 230.11515 147.6
[M-H]- 206.11865 145.0
[M+NH4]+ 225.15975 159.3
[M+K]+ 246.08909 149.2
[M+H-H2O]+ 190.12319 136.5
[M+HCOO]- 252.12413 160.0
[M+CH3COO]- 266.13978 186.4
[M+Na-2H]- 228.10060 148.0
[M]+ 207.12538 138.4
[M]- 207.12648 138.4
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