CID 27551

1,2,3,4,5,6-hexahydro-3,6-dimethyl-azepino(4,5-b)indole hydrochloride

Structural Information

Molecular Formula
C14H18N2
SMILES
CN1CCC2=C(CC1)N(C3=CC=CC=C23)C
InChI
InChI=1S/C14H18N2/c1-15-9-7-12-11-5-3-4-6-13(11)16(2)14(12)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
QZKMZMYWNBQFQN-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 147.0
[M+Na]+ 237.13622 155.9
[M-H]- 213.13972 151.6
[M+NH4]+ 232.18082 166.5
[M+K]+ 253.11016 154.5
[M+H-H2O]+ 197.14426 140.3
[M+HCOO]- 259.14520 165.9
[M+CH3COO]- 273.16085 159.5
[M+Na-2H]- 235.12167 152.3
[M]+ 214.14645 144.8
[M]- 214.14755 144.8
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