CID 499756

Chembl91223

Structural Information

Molecular Formula
C23H27N7O3
SMILES
CC1=CC(=NO1)NC(=O)C2=CN=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)NC(C)C
InChI
InChI=1S/C23H27N7O3/c1-15(2)26-18-5-4-8-24-21(18)29-9-11-30(12-10-29)23(32)19-7-6-17(14-25-19)22(31)27-20-13-16(3)33-28-20/h4-8,13-15,26H,9-12H2,1-3H3,(H,27,28,31)
InChIKey
VZDPFYHRBHPKPD-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

449.21753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.22481 208.5
[M+Na]+ 472.20675 211.7
[M-H]- 448.21025 215.3
[M+NH4]+ 467.25135 209.2
[M+K]+ 488.18069 207.4
[M+H-H2O]+ 432.21479 195.0
[M+HCOO]- 494.21573 221.1
[M+CH3COO]- 508.23138 214.1
[M+Na-2H]- 470.19220 206.9
[M]+ 449.21698 206.2
[M]- 449.21808 206.2
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.