CID 499731

Chembl92688

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CC(C)NC(=O)C1=CN=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)N
InChI
InChI=1S/C19H24N6O2/c1-13(2)23-18(26)14-5-6-16(22-12-14)19(27)25-10-8-24(9-11-25)17-15(20)4-3-7-21-17/h3-7,12-13H,8-11,20H2,1-2H3,(H,23,26)
InChIKey
HNOXXVHMMQKNPM-UHFFFAOYSA-N
Compound name
6-[4-(3-aminopyridin-2-yl)piperazine-1-carbonyl]-N-propan-2-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

368.19608 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 190.0
[M+Na]+ 391.18530 193.3
[M-H]- 367.18880 193.2
[M+NH4]+ 386.22990 195.0
[M+K]+ 407.15924 188.4
[M+H-H2O]+ 351.19334 177.8
[M+HCOO]- 413.19428 203.5
[M+CH3COO]- 427.20993 222.1
[M+Na-2H]- 389.17075 190.2
[M]+ 368.19553 184.3
[M]- 368.19663 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe