CID 3074561

159418-12-9

Structural Information

Molecular Formula
C16H14N8OS
SMILES
CC1=C2C(=CC=C1)C3=C(C(=NC=N3)N4C(=C(C(=N4)SC)C(=O)N)N)N=N2
InChI
InChI=1S/C16H14N8OS/c1-7-4-3-5-8-10(7)21-22-12-11(8)19-6-20-15(12)24-13(17)9(14(18)25)16(23-24)26-2/h3-6H,17H2,1-2H3,(H2,18,25)
InChIKey
HLSPNKVYBWYFMN-UHFFFAOYSA-N
Compound name
5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10114 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10842 186.3
[M+Na]+ 389.09036 199.9
[M-H]- 365.09386 188.7
[M+NH4]+ 384.13496 194.9
[M+K]+ 405.06430 191.6
[M+H-H2O]+ 349.09840 177.3
[M+HCOO]- 411.09934 199.0
[M+CH3COO]- 425.11499 195.8
[M+Na-2H]- 387.07581 189.3
[M]+ 366.10059 190.8
[M]- 366.10169 190.8
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.