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

117
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 142.2
[M+Na]+ 230.115148 147.6
[M-H]- 206.118654 145.0
[M+NH4]+ 225.159753 159.3
[M+K]+ 246.089088 149.2
[M+H-H2O]+ 190.123190 136.5
[M+HCOO]- 252.124131 160.0
[M+CH3COO]- 266.139781 186.4
[M+Na-2H]- 228.100596 148.0
[M]+ 207.12538142 138.4
[M]- 207.12647858 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