CID 9554017

Brn 5619659

Structural Information

Molecular Formula
C15H24N6O3
SMILES
CCNC(=O)NC1=NN=C(C=C1)N/N=C(\C)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N6O3/c1-6-16-14(23)17-11-7-8-12(21-19-11)20-18-10(2)9-13(22)24-15(3,4)5/h7-8H,6,9H2,1-5H3,(H,20,21)(H2,16,17,19,23)/b18-10+
InChIKey
WVMVDKBHEZBEQG-VCHYOVAHSA-N
Compound name
tert-butyl (3E)-3-[[6-(ethylcarbamoylamino)pyridazin-3-yl]hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.19098 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19826 181.2
[M+Na]+ 359.18020 184.5
[M-H]- 335.18370 183.4
[M+NH4]+ 354.22480 191.7
[M+K]+ 375.15414 183.9
[M+H-H2O]+ 319.18824 171.7
[M+HCOO]- 381.18918 203.6
[M+CH3COO]- 395.20483 222.2
[M+Na-2H]- 357.16565 185.5
[M]+ 336.19043 182.9
[M]- 336.19153 182.9
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.