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]+ 282.16008 163.8
[M+Na]+ 304.14202 169.1
[M-H]- 280.14552 168.2
[M+NH4]+ 299.18662 178.9
[M+K]+ 320.11596 164.5
[M+H-H2O]+ 264.15006 154.2
[M+HCOO]- 326.15100 179.7
[M+CH3COO]- 340.16665 173.7
[M+Na-2H]- 302.12747 169.3
[M]+ 281.15225 160.6
[M]- 281.15335 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.