CID 41015

54121-08-3

Structural Information

Molecular Formula
C11H19N5O3
SMILES
CCOC(=O)NNC1=NN=C(C=C1)N(C)CC(C)O
InChI
InChI=1S/C11H19N5O3/c1-4-19-11(18)15-13-9-5-6-10(14-12-9)16(3)7-8(2)17/h5-6,8,17H,4,7H2,1-3H3,(H,12,13)(H,15,18)
InChIKey
RIRSGFLEXKULRP-UHFFFAOYSA-N
Compound name
ethyl N-[[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.1488 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15608 161.8
[M+Na]+ 292.13802 166.0
[M-H]- 268.14152 162.7
[M+NH4]+ 287.18262 174.4
[M+K]+ 308.11196 166.0
[M+H-H2O]+ 252.14606 152.6
[M+HCOO]- 314.14700 184.1
[M+CH3COO]- 328.16265 205.8
[M+Na-2H]- 290.12347 166.1
[M]+ 269.14825 163.1
[M]- 269.14935 163.1
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