CID 210056

1,3,4,5-tetrahydro-1-(3-(dimethylamino)propyl)benz(cd)indole hydrochloride

Structural Information

Molecular Formula
C16H22N2
SMILES
CN(C)CCCN1C=C2CCCC3=C2C1=CC=C3
InChI
InChI=1S/C16H22N2/c1-17(2)10-5-11-18-12-14-8-3-6-13-7-4-9-15(18)16(13)14/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3
InChIKey
YWETYQHGKFJNTO-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-3H-benzo[cd]indol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 157.8
[M+Na]+ 265.167518 164.9
[M-H]- 241.171024 162.1
[M+NH4]+ 260.212123 178.8
[M+K]+ 281.141458 161.3
[M+H-H2O]+ 225.175560 150.1
[M+HCOO]- 287.176501 179.3
[M+CH3COO]- 301.192151 170.1
[M+Na-2H]- 263.152966 163.3
[M]+ 242.17775142 160.6
[M]- 242.17884858 160.6
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.