CID 218412

Brn 0899428

Structural Information

Molecular Formula
C18H24N6O
SMILES
CC1=CC(=NC=C1)N2CCN(CC2)CCNC(=O)C3=CN=C(C=C3)N
InChI
InChI=1S/C18H24N6O/c1-14-4-5-20-17(12-14)24-10-8-23(9-11-24)7-6-21-18(25)15-2-3-16(19)22-13-15/h2-5,12-13H,6-11H2,1H3,(H2,19,22)(H,21,25)
InChIKey
YXQHDGPNHAQAHS-UHFFFAOYSA-N
Compound name
6-amino-N-[2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.20117 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20845 182.9
[M+Na]+ 363.19039 194.7
[M+NH4]+ 358.23499 188.3
[M+K]+ 379.16433 188.3
[M-H]- 339.19389 187.2
[M+Na-2H]- 361.17584 190.5
[M]+ 340.20062 185.5
[M]- 340.20172 185.5
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

patents stripe