CID 491040

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

Structural Information

Molecular Formula
C21H31FN6O
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NCCN(C)C)C4CC4)F
InChI
InChI=1S/C21H31FN6O/c1-14-13-27(9-7-23-14)18-11-19-17(10-16(18)22)25-20(28(19)15-4-5-15)12-21(29)24-6-8-26(2)3/h10-11,14-15,23H,4-9,12-13H2,1-3H3,(H,24,29)
InChIKey
JGGXJCWJQOGGNB-UHFFFAOYSA-N
Compound name
2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperazin-1-yl)benzimidazol-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.25433 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.26161 203.1
[M+Na]+ 425.24355 210.2
[M-H]- 401.24705 207.1
[M+NH4]+ 420.28815 206.5
[M+K]+ 441.21749 201.9
[M+H-H2O]+ 385.25159 191.9
[M+HCOO]- 447.25253 217.4
[M+CH3COO]- 461.26818 232.4
[M+Na-2H]- 423.22900 200.5
[M]+ 402.25378 203.4
[M]- 402.25488 203.4
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.