CID 216992

N,n-dimethyl-4h-thieno(3,2-b)(1)benzazepine-4-propanamine (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C17H20N2S
SMILES
CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C17H20N2S/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17/h3-4,6-10,13H,5,11-12H2,1-2H3
InChIKey
JFAOODCMLJZILM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

284.1347 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 166.9
[M+Na]+ 307.12392 173.7
[M-H]- 283.12742 173.6
[M+NH4]+ 302.16852 185.5
[M+K]+ 323.09786 173.2
[M+H-H2O]+ 267.13196 160.8
[M+HCOO]- 329.13290 183.9
[M+CH3COO]- 343.14855 178.3
[M+Na-2H]- 305.10937 169.4
[M]+ 284.13415 168.9
[M]- 284.13525 168.9
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