CID 3053202

5h-pyrido(3,2-b)azepine-5-propanamine, 6,7,8,9-tetrahydro-n,n-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C14H23N3
SMILES
CN(C)CCCN1CCCCC2=C1C=CC=N2
InChI
InChI=1S/C14H23N3/c1-16(2)10-6-12-17-11-4-3-7-13-14(17)8-5-9-15-13/h5,8-9H,3-4,6-7,10-12H2,1-2H3
InChIKey
HKHJPIZOGKPQQS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 152.7
[M+Na]+ 256.178418 156.5
[M-H]- 232.181924 156.0
[M+NH4]+ 251.223023 168.2
[M+K]+ 272.152358 158.2
[M+H-H2O]+ 216.186460 144.1
[M+HCOO]- 278.187401 171.0
[M+CH3COO]- 292.203051 200.0
[M+Na-2H]- 254.163866 158.3
[M]+ 233.18865142 149.2
[M]- 233.18974858 149.2
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.