CID 152262911

2375815-63-5

Structural Information

Molecular Formula
C15H18N4O2
SMILES
CC1=NN=C(C=C1[C@H]2C[C@@H]2C(C)C)C3=CNC(=O)NC3=O
InChI
InChI=1S/C15H18N4O2/c1-7(2)9-4-11(9)10-5-13(19-18-8(10)3)12-6-16-15(21)17-14(12)20/h5-7,9,11H,4H2,1-3H3,(H2,16,17,20,21)/t9-,11+/m1/s1
InChIKey
WHRUIISQCORGKK-KOLCDFICSA-N
Compound name
5-[6-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

35
Patents

286.14297 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 170.5
[M+Na]+ 309.13219 186.3
[M+NH4]+ 304.17679 176.3
[M+K]+ 325.10613 181.8
[M-H]- 285.13569 179.1
[M+Na-2H]- 307.11764 179.4
[M]+ 286.14242 176.1
[M]- 286.14352 176.1
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