CID 54595488

1356781-02-6

Structural Information

Molecular Formula
C17H18FN3
SMILES
CC1=C(C(=CC=C1)C2=NC3=C(N2C(C)C)C=CC(=C3)F)N
InChI
InChI=1S/C17H18FN3/c1-10(2)21-15-8-7-12(18)9-14(15)20-17(21)13-6-4-5-11(3)16(13)19/h4-10H,19H2,1-3H3
InChIKey
YGMGYFROAAHZKJ-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14847 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15575 166.7
[M+Na]+ 306.13769 178.0
[M-H]- 282.14119 171.4
[M+NH4]+ 301.18229 183.1
[M+K]+ 322.11163 171.8
[M+H-H2O]+ 266.14573 157.5
[M+HCOO]- 328.14667 187.8
[M+CH3COO]- 342.16232 178.8
[M+Na-2H]- 304.12314 168.5
[M]+ 283.14792 167.6
[M]- 283.14902 167.6
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.