CID 499729

Chembl92855

Structural Information

Molecular Formula
C18H22N6O3
SMILES
C1CN(CCN1C2=C(C=CC=N2)N)C(=O)C3=NC=C(C=C3)C(=O)NCCO
InChI
InChI=1S/C18H22N6O3/c19-14-2-1-5-20-16(14)23-7-9-24(10-8-23)18(27)15-4-3-13(12-22-15)17(26)21-6-11-25/h1-5,12,25H,6-11,19H2,(H,21,26)
InChIKey
RCDDAWZDLYEAJV-UHFFFAOYSA-N
Compound name
6-[4-(3-aminopyridin-2-yl)piperazine-1-carbonyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

370.17532 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 188.0
[M+Na]+ 393.16454 191.4
[M-H]- 369.16804 190.1
[M+NH4]+ 388.20914 192.3
[M+K]+ 409.13848 186.1
[M+H-H2O]+ 353.17258 175.9
[M+HCOO]- 415.17352 201.6
[M+CH3COO]- 429.18917 218.4
[M+Na-2H]- 391.14999 189.6
[M]+ 370.17477 182.2
[M]- 370.17587 182.2
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