CID 135434898

Chembl160972

Structural Information

Molecular Formula
C19H26N6O
SMILES
CCN(CC)CCCC(C)NC1=NC(=C(C(=O)N1)C#N)C2=CN=CC=C2
InChI
InChI=1S/C19H26N6O/c1-4-25(5-2)11-7-8-14(3)22-19-23-17(15-9-6-10-21-13-15)16(12-20)18(26)24-19/h6,9-10,13-14H,4-5,7-8,11H2,1-3H3,(H2,22,23,24,26)
InChIKey
JMMPQKATCWHHTD-UHFFFAOYSA-N
Compound name
2-[5-(diethylamino)pentan-2-ylamino]-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.2168 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22408 185.7
[M+Na]+ 377.20602 191.6
[M-H]- 353.20952 185.8
[M+NH4]+ 372.25062 192.1
[M+K]+ 393.17996 186.8
[M+H-H2O]+ 337.21406 167.7
[M+HCOO]- 399.21500 200.7
[M+CH3COO]- 413.23065 230.6
[M+Na-2H]- 375.19147 187.0
[M]+ 354.21625 181.0
[M]- 354.21735 181.0
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

No patent data available for this compound.