CID 59838

104373-49-1

Structural Information

Molecular Formula
C20H27N5O
SMILES
CC1=CC(=CC(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)N
InChI
InChI=1S/C20H27N5O/c1-15-13-17(21)14-16(2)19(15)20(26)23-7-8-24-9-11-25(12-10-24)18-5-3-4-6-22-18/h3-6,13-14H,7-12,21H2,1-2H3,(H,23,26)
InChIKey
KMGCKMQFZNMEGP-UHFFFAOYSA-N
Compound name
4-amino-2,6-dimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.22156 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22884 189.4
[M+Na]+ 376.21078 193.6
[M-H]- 352.21428 193.8
[M+NH4]+ 371.25538 197.0
[M+K]+ 392.18472 187.6
[M+H-H2O]+ 336.21882 177.5
[M+HCOO]- 398.21976 205.5
[M+CH3COO]- 412.23541 220.7
[M+Na-2H]- 374.19623 190.0
[M]+ 353.22101 184.5
[M]- 353.22211 184.5
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.