CID 6410685

3-pyridazinamine, n-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-nitro-

Structural Information

Molecular Formula
C14H19N5O3S
SMILES
CN(C)CC1=CC=C(O1)CSCCNC2=C(C=CN=N2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKey
YSANROTYHBNTDV-UHFFFAOYSA-N
Compound name
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-nitropyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

337.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12813 173.8
[M+Na]+ 360.11007 184.2
[M+NH4]+ 355.15467 179.8
[M+K]+ 376.08401 181.6
[M-H]- 336.11357 179.4
[M+Na-2H]- 358.09552 179.2
[M]+ 337.12030 176.9
[M]- 337.12140 176.9
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