CID 9587910

N-(imino((5-methyl-3-isoxazolyl)amino)methyl)-4-methyl-1-piperazinecarboximidamide

Structural Information

Molecular Formula
C11H19N7O
SMILES
CC1=CC(=NO1)N=C(N)/N=C(\N)/N2CCN(CC2)C
InChI
InChI=1S/C11H19N7O/c1-8-7-9(16-19-8)14-10(12)15-11(13)18-5-3-17(2)4-6-18/h7H,3-6H2,1-2H3,(H4,12,13,14,15,16)
InChIKey
IKJYEIHTGRZMNP-UHFFFAOYSA-N
Compound name
4-methyl-N'-[N'-(5-methyl-1,2-oxazol-3-yl)carbamimidoyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1651 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17238 164.1
[M+Na]+ 288.15432 168.5
[M-H]- 264.15782 169.1
[M+NH4]+ 283.19892 176.5
[M+K]+ 304.12826 167.9
[M+H-H2O]+ 248.16236 153.5
[M+HCOO]- 310.16330 185.6
[M+CH3COO]- 324.17895 208.2
[M+Na-2H]- 286.13977 165.9
[M]+ 265.16455 159.0
[M]- 265.16565 159.0
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.