CID 81940209

2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C13H19F2N3
SMILES
C1CC2=C(CC1N)NC(=N2)C3CCC(CC3)(F)F
InChI
InChI=1S/C13H19F2N3/c14-13(15)5-3-8(4-6-13)12-17-10-2-1-9(16)7-11(10)18-12/h8-9H,1-7,16H2,(H,17,18)
InChIKey
UORRWYUOILETLM-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.15471 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.161986 158.3
[M+Na]+ 278.143928 164.3
[M-H]- 254.147434 157.9
[M+NH4]+ 273.188533 176.0
[M+K]+ 294.117868 158.7
[M+H-H2O]+ 238.151970 148.6
[M+HCOO]- 300.152911 170.5
[M+CH3COO]- 314.168561 167.4
[M+Na-2H]- 276.129376 158.8
[M]+ 255.15416142 146.3
[M]- 255.15525858 146.3
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.