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]+ 234.19648 153.8
[M+Na]+ 256.17842 163.5
[M+NH4]+ 251.22302 161.5
[M+K]+ 272.15236 157.9
[M-H]- 232.18192 156.2
[M+Na-2H]- 254.16387 159.5
[M]+ 233.18865 155.8
[M]- 233.18975 155.8
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

No patent data available for this compound.