CID 155973708

2-{1h,6h,7h,8h,9h-naphtho[1,2-d]imidazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCC2=C(C1)C=CC3=C2N=C(N3)CCN
InChI
InChI=1S/C13H17N3/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h5-6H,1-4,7-8,14H2,(H,15,16)
InChIKey
PWAXOUNLCLCTAJ-UHFFFAOYSA-N
Compound name
2-(6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 147.2
[M+Na]+ 238.131458 155.4
[M-H]- 214.134964 148.1
[M+NH4]+ 233.176063 166.1
[M+K]+ 254.105398 149.6
[M+H-H2O]+ 198.139500 139.7
[M+HCOO]- 260.140441 165.9
[M+CH3COO]- 274.156091 158.7
[M+Na-2H]- 236.116906 153.5
[M]+ 215.14169142 143.9
[M]- 215.14278858 143.9
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.