CID 135568373

Benz(cd)indol-2-amine, n-(2-phenylethyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H16N2
SMILES
C1=CC=C(C=C1)CCN=C2C3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C19H16N2/c1-2-6-14(7-3-1)12-13-20-19-16-10-4-8-15-9-5-11-17(21-19)18(15)16/h1-11H,12-13H2,(H,20,21)
InChIKey
LHYNBMBDGQUZRO-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-1H-benzo[cd]indol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.13135 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 162.1
[M+Na]+ 295.12057 169.5
[M-H]- 271.12407 168.2
[M+NH4]+ 290.16517 180.5
[M+K]+ 311.09451 162.5
[M+H-H2O]+ 255.12861 153.3
[M+HCOO]- 317.12955 183.7
[M+CH3COO]- 331.14520 173.6
[M+Na-2H]- 293.10602 169.2
[M]+ 272.13080 161.4
[M]- 272.13190 161.4
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.