CID 64687986

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

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1CC2=CC(=C(C=C2C(NC1)C)OC)OC
InChI
InChI=1S/C14H21NO2/c1-9-5-11-6-13(16-3)14(17-4)7-12(11)10(2)15-8-9/h6-7,9-10,15H,5,8H2,1-4H3
InChIKey
JJNWWBVSBLQJNC-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 150.6
[M+Na]+ 258.146448 156.9
[M-H]- 234.149954 153.8
[M+NH4]+ 253.191053 167.2
[M+K]+ 274.120388 158.3
[M+H-H2O]+ 218.154490 145.0
[M+HCOO]- 280.155431 167.7
[M+CH3COO]- 294.171081 194.3
[M+Na-2H]- 256.131896 154.1
[M]+ 235.15668142 148.3
[M]- 235.15777858 148.3
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

No patent data available for this compound.