CID 9587912

4-morpholinecarboximidamide, n-(imino((5-methyl-3-isoxazolyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H16N6O2
SMILES
CC1=CC(=NO1)N=C(N)/N=C(\N)/N2CCOCC2
InChI
InChI=1S/C10H16N6O2/c1-7-6-8(15-18-7)13-9(11)14-10(12)16-2-4-17-5-3-16/h6H,2-5H2,1H3,(H4,11,12,13,14,15)
InChIKey
ODEXNEKLVLKZIY-UHFFFAOYSA-N
Compound name
N'-[N'-(5-methyl-1,2-oxazol-3-yl)carbamimidoyl]morpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13347 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14075 160.0
[M+Na]+ 275.12269 163.9
[M-H]- 251.12619 166.7
[M+NH4]+ 270.16729 172.6
[M+K]+ 291.09663 164.9
[M+H-H2O]+ 235.13073 150.0
[M+HCOO]- 297.13167 182.3
[M+CH3COO]- 311.14732 203.7
[M+Na-2H]- 273.10814 163.5
[M]+ 252.13292 155.6
[M]- 252.13402 155.6
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.