CID 43083

Brn 0843124

Structural Information

Molecular Formula
C19H25N5O
SMILES
CC1=CC(=NC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H25N5O/c1-15-6-7-21-18(14-15)24-12-10-23(11-13-24)9-8-22-19(25)16-2-4-17(20)5-3-16/h2-7,14H,8-13,20H2,1H3,(H,22,25)
InChIKey
KKULQNKRTNZDNM-UHFFFAOYSA-N
Compound name
4-amino-N-[2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl]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 183.8
[M+Na]+ 362.19512 195.7
[M+NH4]+ 357.23972 189.9
[M+K]+ 378.16906 188.7
[M-H]- 338.19862 189.0
[M+Na-2H]- 360.18057 191.6
[M]+ 339.20535 186.7
[M]- 339.20645 186.7
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.