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]+ 236.16451 150.6
[M+Na]+ 258.14645 156.9
[M-H]- 234.14995 153.8
[M+NH4]+ 253.19105 167.2
[M+K]+ 274.12039 158.3
[M+H-H2O]+ 218.15449 145.0
[M+HCOO]- 280.15543 167.7
[M+CH3COO]- 294.17108 194.3
[M+Na-2H]- 256.13190 154.1
[M]+ 235.15668 148.3
[M]- 235.15778 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.