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]+ 256.16199 158.3
[M+Na]+ 278.14393 164.3
[M-H]- 254.14743 157.9
[M+NH4]+ 273.18853 176.0
[M+K]+ 294.11787 158.7
[M+H-H2O]+ 238.15197 148.6
[M+HCOO]- 300.15291 170.5
[M+CH3COO]- 314.16856 167.4
[M+Na-2H]- 276.12938 158.8
[M]+ 255.15416 146.3
[M]- 255.15526 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.