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]+ 296.175736 168.3
[M+Na]+ 318.157678 173.1
[M-H]- 294.161184 172.5
[M+NH4]+ 313.202283 182.8
[M+K]+ 334.131618 168.3
[M+H-H2O]+ 278.165720 158.5
[M+HCOO]- 340.166661 183.8
[M+CH3COO]- 354.182311 177.8
[M+Na-2H]- 316.143126 173.3
[M]+ 295.16791142 165.4
[M]- 295.16900858 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.