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-amino-2-pyridinyl)piperazine-1-carbonyl]-N-propan-2-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.