CID 491041

2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperazin-1-yl)benzimidazol-2-yl]-n-(2-diethylaminoethyl)acetamide

Structural Information

Molecular Formula
C23H35FN6O
SMILES
CCN(CC)CCNC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCNC(C4)C)F
InChI
InChI=1S/C23H35FN6O/c1-4-28(5-2)10-8-26-23(31)14-22-27-19-12-18(24)20(29-11-9-25-16(3)15-29)13-21(19)30(22)17-6-7-17/h12-13,16-17,25H,4-11,14-15H2,1-3H3,(H,26,31)
InChIKey
YQADAYRZAFWAOL-UHFFFAOYSA-N
Compound name
2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperazin-1-yl)benzimidazol-2-yl]-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.28564 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.29292 210.7
[M+Na]+ 453.27486 216.9
[M-H]- 429.27836 214.4
[M+NH4]+ 448.31946 213.0
[M+K]+ 469.24880 208.3
[M+H-H2O]+ 413.28290 199.2
[M+HCOO]- 475.28384 224.4
[M+CH3COO]- 489.29949 237.9
[M+Na-2H]- 451.26031 207.3
[M]+ 430.28509 211.7
[M]- 430.28619 211.7
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.