CID 53536965

5-(5-fluoro-1-methyl-1h-1,3-benzodiazol-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C15H14FN3
SMILES
CC1=C(C=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)F)N
InChI
InChI=1S/C15H14FN3/c1-9-3-4-10(7-12(9)17)15-18-13-8-11(16)5-6-14(13)19(15)2/h3-8H,17H2,1-2H3
InChIKey
UADBSPMSBXBNFZ-UHFFFAOYSA-N
Compound name
5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11717 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12445 157.2
[M+Na]+ 278.10639 169.8
[M-H]- 254.10989 162.2
[M+NH4]+ 273.15099 174.8
[M+K]+ 294.08033 163.4
[M+H-H2O]+ 238.11443 148.2
[M+HCOO]- 300.11537 180.0
[M+CH3COO]- 314.13102 170.4
[M+Na-2H]- 276.09184 161.2
[M]+ 255.11662 158.1
[M]- 255.11772 158.1
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.