CID 135434932

Chembl159176

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NCCN3CCOCC3)C#N
InChI
InChI=1S/C19H24N6O2/c1-24(2)15-5-3-14(4-6-15)17-16(13-20)18(26)23-19(22-17)21-7-8-25-9-11-27-12-10-25/h3-6H,7-12H2,1-2H3,(H2,21,22,23,26)
InChIKey
FLJPMORAHPFUGT-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 187.5
[M+Na]+ 391.18530 193.5
[M-H]- 367.18880 190.2
[M+NH4]+ 386.22990 191.7
[M+K]+ 407.15924 188.5
[M+H-H2O]+ 351.19334 168.6
[M+HCOO]- 413.19428 199.9
[M+CH3COO]- 427.20993 230.5
[M+Na-2H]- 389.17075 189.2
[M]+ 368.19553 179.4
[M]- 368.19663 179.4
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.