CID 41280

Brn 0843346

Structural Information

Molecular Formula
C19H25N5O
SMILES
CC(CN1CCN(CC1)C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H25N5O/c1-15(22-19(25)16-5-7-17(20)8-6-16)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-14,20H2,1H3,(H,22,25)
InChIKey
XVAJSNZCCQBLCQ-UHFFFAOYSA-N
Compound name
4-amino-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2059 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21318 182.8
[M+Na]+ 362.19512 185.2
[M-H]- 338.19862 186.7
[M+NH4]+ 357.23972 190.2
[M+K]+ 378.16906 179.9
[M+H-H2O]+ 322.20316 170.8
[M+HCOO]- 384.20410 198.3
[M+CH3COO]- 398.21975 216.2
[M+Na-2H]- 360.18057 184.5
[M]+ 339.20535 176.1
[M]- 339.20645 176.1
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

No patent data available for this compound.