CID 3045543

Imidodicarbonimidic diamide, n-butyl-n'-(5-methyl-3-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H18N6O
SMILES
CCCCN(C(=N)N)C(=NC1=NOC(=C1)C)N
InChI
InChI=1S/C10H18N6O/c1-3-4-5-16(9(11)12)10(13)14-8-6-7(2)17-15-8/h6H,3-5H2,1-2H3,(H3,11,12)(H2,13,14,15)
InChIKey
LJUJDVWZAXNSDW-UHFFFAOYSA-N
Compound name
1-butyl-1-carbamimidoyl-2-(5-methyl-1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1542 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16148 159.0
[M+Na]+ 261.14342 163.1
[M-H]- 237.14692 163.9
[M+NH4]+ 256.18802 174.9
[M+K]+ 277.11736 163.9
[M+H-H2O]+ 221.15146 149.7
[M+HCOO]- 283.15240 185.9
[M+CH3COO]- 297.16805 208.5
[M+Na-2H]- 259.12887 161.3
[M]+ 238.15365 157.1
[M]- 238.15475 157.1
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

No patent data available for this compound.