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: 4
Patents: 269.1488 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.156076	161.8
[M+Na]+	292.138018	166.0
[M-H]-	268.141524	162.7
[M+NH4]+	287.182623	174.4
[M+K]+	308.111958	166.0
[M+H-H2O]+	252.146060	152.6
[M+HCOO]-	314.147001	184.1
[M+CH3COO]-	328.162651	205.8
[M+Na-2H]-	290.123466	166.1
[M]+	269.14825142	163.1
[M]-	269.14934858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe