CID 3043172

1-piperazinecarboximidamide, 4-((2,4,6-trimethylphenyl)methyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C15H24N4
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)C(=N)N)C
InChI
InChI=1S/C15H24N4/c1-11-8-12(2)14(13(3)9-11)10-18-4-6-19(7-5-18)15(16)17/h8-9H,4-7,10H2,1-3H3,(H3,16,17)
InChIKey
NRQKOHPKZSWBGX-UHFFFAOYSA-N
Compound name
4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.2001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20738 166.4
[M+Na]+ 283.18932 171.8
[M-H]- 259.19282 169.6
[M+NH4]+ 278.23392 180.1
[M+K]+ 299.16326 167.4
[M+H-H2O]+ 243.19736 157.5
[M+HCOO]- 305.19830 184.1
[M+CH3COO]- 319.21395 204.8
[M+Na-2H]- 281.17477 166.7
[M]+ 260.19955 160.4
[M]- 260.20065 160.4
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.