CID 41014

Brn 0892773

Structural Information

Molecular Formula
C10H17N5O3
SMILES
CCOC(=O)NNC1=NN=C(C=C1)N(C)CCO
InChI
InChI=1S/C10H17N5O3/c1-3-18-10(17)14-12-8-4-5-9(13-11-8)15(2)6-7-16/h4-5,16H,3,6-7H2,1-2H3,(H,11,12)(H,14,17)
InChIKey
OQLFEFYQCJEMRL-UHFFFAOYSA-N
Compound name
ethyl N-[[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.13313 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14041 156.6
[M+Na]+ 278.12235 161.5
[M-H]- 254.12585 157.6
[M+NH4]+ 273.16695 169.9
[M+K]+ 294.09629 161.1
[M+H-H2O]+ 238.13039 147.5
[M+HCOO]- 300.13133 180.3
[M+CH3COO]- 314.14698 201.8
[M+Na-2H]- 276.10780 162.6
[M]+ 255.13258 158.2
[M]- 255.13368 158.2
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