CID 135485263

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

Structural Information

Molecular Formula
C18H14N2
SMILES
C1=CC=C(C=C1)CN=C2C3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H14N2/c1-2-6-13(7-3-1)12-19-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-11H,12H2,(H,19,20)
InChIKey
SMEQVXJNVAOIFY-UHFFFAOYSA-N
Compound name
N-benzyl-1H-benzo[cd]indol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1157 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.122976 157.4
[M+Na]+ 281.104918 165.4
[M-H]- 257.108424 163.8
[M+NH4]+ 276.149523 176.5
[M+K]+ 297.078858 158.6
[M+H-H2O]+ 241.112960 148.9
[M+HCOO]- 303.113901 179.5
[M+CH3COO]- 317.129551 169.5
[M+Na-2H]- 279.090366 165.1
[M]+ 258.11515142 156.5
[M]- 258.11624858 156.5
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.