CID 207558

Benzamide, 4-amino-2-fluoro-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C18H22FN5O
SMILES
C1CN(CCN1CCNC(=O)C2=C(C=C(C=C2)N)F)C3=CC=CC=N3
InChI
InChI=1S/C18H22FN5O/c19-16-13-14(20)4-5-15(16)18(25)22-7-8-23-9-11-24(12-10-23)17-3-1-2-6-21-17/h1-6,13H,7-12,20H2,(H,22,25)
InChIKey
CFBRMSRMJUZAOZ-UHFFFAOYSA-N
Compound name
4-amino-2-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.18085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18813 182.4
[M+Na]+ 366.17007 186.6
[M-H]- 342.17357 185.3
[M+NH4]+ 361.21467 190.0
[M+K]+ 382.14401 180.4
[M+H-H2O]+ 326.17811 169.6
[M+HCOO]- 388.17905 198.1
[M+CH3COO]- 402.19470 216.1
[M+Na-2H]- 364.15552 184.2
[M]+ 343.18030 175.3
[M]- 343.18140 175.3
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

patents stripe