CID 6410577

2-(6-((2-idrossipropil)metilamino)-3-piridazinil)idrazincarbossilato di-2-idrossietile hcl

Structural Information

Molecular Formula
C11H19N5O4
SMILES
CC(CN(C)C1=NN=C(C=C1)NNC(=O)OCCO)O
InChI
InChI=1S/C11H19N5O4/c1-8(18)7-16(2)10-4-3-9(12-14-10)13-15-11(19)20-6-5-17/h3-4,8,17-18H,5-7H2,1-2H3,(H,12,13)(H,15,19)
InChIKey
LDPSGBCENMPZNZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-[[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1437 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15098 163.8
[M+Na]+ 308.13292 167.4
[M-H]- 284.13642 163.3
[M+NH4]+ 303.17752 174.9
[M+K]+ 324.10686 167.2
[M+H-H2O]+ 268.14096 154.6
[M+HCOO]- 330.14190 184.8
[M+CH3COO]- 344.15755 205.7
[M+Na-2H]- 306.11837 167.7
[M]+ 285.14315 164.6
[M]- 285.14425 164.6
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.