CID 395677

Nsc700459

Structural Information

Molecular Formula
C15H18N6O3
SMILES
CC1=NN(C(=O)C12C3(C2(C(N=C3N)(OC)OC)C#N)C#N)C(C)C
InChI
InChI=1S/C15H18N6O3/c1-8(2)21-11(22)14(9(3)20-21)12(6-16)10(18)19-15(23-4,24-5)13(12,14)7-17/h8H,1-5H3,(H2,18,19)
InChIKey
QSNWLKKGYGFRDD-UHFFFAOYSA-N
Compound name
2-amino-4,4-dimethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14404 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15132 168.7
[M+Na]+ 353.13326 188.7
[M-H]- 329.13676 174.3
[M+NH4]+ 348.17786 182.6
[M+K]+ 369.10720 177.1
[M+H-H2O]+ 313.14130 159.8
[M+HCOO]- 375.14224 179.6
[M+CH3COO]- 389.15789 234.6
[M+Na-2H]- 351.11871 172.6
[M]+ 330.14349 169.5
[M]- 330.14459 169.5
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.