CID 9848160

309712-55-8

Structural Information

Molecular Formula
C20H24F2N4O
SMILES
CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)
InChIKey
GRUWKTIRBBPZSD-UHFFFAOYSA-N
Compound name
2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

27
Patents

374.1918 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19908 189.8
[M+Na]+ 397.18102 193.7
[M-H]- 373.18452 191.9
[M+NH4]+ 392.22562 197.3
[M+K]+ 413.15496 186.5
[M+H-H2O]+ 357.18906 177.0
[M+HCOO]- 419.19000 204.2
[M+CH3COO]- 433.20565 221.4
[M+Na-2H]- 395.16647 189.7
[M]+ 374.19125 181.5
[M]- 374.19235 181.5
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

patents stripe