CID 6410475

2-(6-(bis(2-hydroxyethyl)amino)-3-pyridazinyl)hydrazinecarboxylic acid ethyl ester hcl

Structural Information

Molecular Formula
C11H19N5O4
SMILES
CCOC(=O)NNC1=NN=C(C=C1)N(CCO)CCO
InChI
InChI=1S/C11H19N5O4/c1-2-20-11(19)15-13-9-3-4-10(14-12-9)16(5-7-17)6-8-18/h3-4,17-18H,2,5-8H2,1H3,(H,12,13)(H,15,19)
InChIKey
KUOGBDCRMGAIHE-UHFFFAOYSA-N
Compound name
ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.1437 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15098 162.8
[M+Na]+ 308.13292 166.7
[M-H]- 284.13642 162.2
[M+NH4]+ 303.17752 174.0
[M+K]+ 324.10686 165.9
[M+H-H2O]+ 268.14096 153.5
[M+HCOO]- 330.14190 184.8
[M+CH3COO]- 344.15755 204.8
[M+Na-2H]- 306.11837 168.0
[M]+ 285.14315 164.2
[M]- 285.14425 164.2
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