CID 6410575

Brn 0844356

Structural Information

Molecular Formula
C14H21N7O2
SMILES
CC1=C(C(=NN1C2=NN=C(C=C2)NNC(=O)OC(C)(C)C)C)N
InChI
InChI=1S/C14H21N7O2/c1-8-12(15)9(2)21(20-8)11-7-6-10(16-18-11)17-19-13(22)23-14(3,4)5/h6-7H,15H2,1-5H3,(H,16,17)(H,19,22)
InChIKey
KPAZAPUYVHMHFB-UHFFFAOYSA-N
Compound name
tert-butyl N-[[6-(4-amino-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.17566 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18294 178.0
[M+Na]+ 342.16488 185.9
[M-H]- 318.16838 180.8
[M+NH4]+ 337.20948 188.4
[M+K]+ 358.13882 182.8
[M+H-H2O]+ 302.17292 168.4
[M+HCOO]- 364.17386 198.4
[M+CH3COO]- 378.18951 215.1
[M+Na-2H]- 340.15033 181.3
[M]+ 319.17511 179.1
[M]- 319.17621 179.1
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

patents stripe