CID 3044001

1h-azepino(4,3-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, dihydrochloride

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=C2CNCCCC2=NC3=CC=CC=C13
InChI
InChI=1S/C14H16N2/c1-10-11-5-2-3-6-13(11)16-14-7-4-8-15-9-12(10)14/h2-3,5-6,15H,4,7-9H2,1H3
InChIKey
XYVNDHODYMIWAP-UHFFFAOYSA-N
Compound name
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 146.2
[M+Na]+ 235.12057 152.9
[M-H]- 211.12407 148.5
[M+NH4]+ 230.16517 162.8
[M+K]+ 251.09451 151.3
[M+H-H2O]+ 195.12861 139.3
[M+HCOO]- 257.12955 161.6
[M+CH3COO]- 271.14520 157.0
[M+Na-2H]- 233.10602 153.8
[M]+ 212.13080 139.8
[M]- 212.13190 139.8
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