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 152.7
[M+Na]+ 256.17842 156.5
[M-H]- 232.18192 156.0
[M+NH4]+ 251.22302 168.2
[M+K]+ 272.15236 158.2
[M+H-H2O]+ 216.18646 144.1
[M+HCOO]- 278.18740 171.0
[M+CH3COO]- 292.20305 200.0
[M+Na-2H]- 254.16387 158.3
[M]+ 233.18865 149.2
[M]- 233.18975 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.