CID 135568371

Benz(cd)indol-2-amine, n-(3-(4-morpholinyl)propyl)-, hydrochloride, hydrate (1:2:1)

Structural Information

Molecular Formula
C18H21N3O
SMILES
C1COCCN1CCCN=C2C3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H21N3O/c1-4-14-5-2-7-16-17(14)15(6-1)18(20-16)19-8-3-9-21-10-12-22-13-11-21/h1-2,4-7H,3,8-13H2,(H,19,20)
InChIKey
ZRTKSEXCZUOXNM-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-1H-benzo[cd]indol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 168.3
[M+Na]+ 318.15768 173.1
[M-H]- 294.16118 172.5
[M+NH4]+ 313.20228 182.8
[M+K]+ 334.13162 168.3
[M+H-H2O]+ 278.16572 158.5
[M+HCOO]- 340.16666 183.8
[M+CH3COO]- 354.18231 177.8
[M+Na-2H]- 316.14313 173.3
[M]+ 295.16791 165.4
[M]- 295.16901 165.4
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.