CID 491045

5-fluoro-n-methyl-6-(4-methylpiperazin-1-yl)-1-propyl-benzimidazol-2-amine

Structural Information

Molecular Formula
C16H24FN5
SMILES
CCCN1C2=CC(=C(C=C2N=C1NC)F)N3CCN(CC3)C
InChI
InChI=1S/C16H24FN5/c1-4-5-22-15-11-14(21-8-6-20(3)7-9-21)12(17)10-13(15)19-16(22)18-2/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKey
QXJOYJWHBBFAPX-UHFFFAOYSA-N
Compound name
5-fluoro-N-methyl-6-(4-methylpiperazin-1-yl)-1-propylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.20157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20885 175.6
[M+Na]+ 328.19079 184.5
[M-H]- 304.19429 176.8
[M+NH4]+ 323.23539 188.3
[M+K]+ 344.16473 178.4
[M+H-H2O]+ 288.19883 164.3
[M+HCOO]- 350.19977 191.5
[M+CH3COO]- 364.21542 185.1
[M+Na-2H]- 326.17624 176.7
[M]+ 305.20102 174.4
[M]- 305.20212 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.