CID 135568369

Benz(cd)indol-2-amine, n-(2-(4-morpholinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1COCCN1CCN=C2C3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C17H19N3O/c1-3-13-4-2-6-15-16(13)14(5-1)17(19-15)18-7-8-20-9-11-21-12-10-20/h1-6H,7-12H2,(H,18,19)
InChIKey
BBLAKJUTXCYZJC-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-1H-benzo[cd]indol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 163.8
[M+Na]+ 304.142018 169.1
[M-H]- 280.145524 168.2
[M+NH4]+ 299.186623 178.9
[M+K]+ 320.115958 164.5
[M+H-H2O]+ 264.150060 154.2
[M+HCOO]- 326.151001 179.7
[M+CH3COO]- 340.166651 173.7
[M+Na-2H]- 302.127466 169.3
[M]+ 281.15225142 160.6
[M]- 281.15334858 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.