CID 16077389

2-(4-fluorophenyl)-1-propyl-benzimidazol-5-amine

Structural Information

Molecular Formula
C16H16FN3
SMILES
CCCN1C2=C(C=C(C=C2)N)N=C1C3=CC=C(C=C3)F
InChI
InChI=1S/C16H16FN3/c1-2-9-20-15-8-7-13(18)10-14(15)19-16(20)11-3-5-12(17)6-4-11/h3-8,10H,2,9,18H2,1H3
InChIKey
UADSPQDVLKKGFF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-propylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14008 161.3
[M+Na]+ 292.12202 172.4
[M-H]- 268.12552 165.6
[M+NH4]+ 287.16662 178.0
[M+K]+ 308.09596 165.9
[M+H-H2O]+ 252.13006 151.8
[M+HCOO]- 314.13100 183.7
[M+CH3COO]- 328.14665 173.6
[M+Na-2H]- 290.10747 165.5
[M]+ 269.13225 162.0
[M]- 269.13335 162.0
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.