CID 25102784

Ns11757

Structural Information

Molecular Formula
C17H15Cl2N3
SMILES
C1CC(C2=CC(=C(C=C2C1)Cl)Cl)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)
InChIKey
JHLGZRSIUIFADK-UHFFFAOYSA-N
Compound name
N-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.0643 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07158 173.8
[M+Na]+ 354.05352 184.3
[M-H]- 330.05702 177.5
[M+NH4]+ 349.09812 189.3
[M+K]+ 370.02746 174.9
[M+H-H2O]+ 314.06156 165.6
[M+HCOO]- 376.06250 183.0
[M+CH3COO]- 390.07815 183.9
[M+Na-2H]- 352.03897 178.0
[M]+ 331.06375 174.5
[M]- 331.06485 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.