CID 11587013

Ns8593 hydrochloride

Structural Information

Molecular Formula
C17H17N3
SMILES
C1C[C@H](C2=CC=CC=C2C1)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
InChIKey
XZIZUQSOFMLIIR-CQSZACIVSA-N
Compound name
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

54
References

66
Patents

263.14224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 160.6
[M+Na]+ 286.13146 175.5
[M+NH4]+ 281.17606 170.5
[M+K]+ 302.10540 168.1
[M-H]- 262.13496 166.0
[M+Na-2H]- 284.11691 169.2
[M]+ 263.14169 164.3
[M]- 263.14279 164.3
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

patents stripe