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]+ 261.207376 166.4
[M+Na]+ 283.189318 171.8
[M-H]- 259.192824 169.6
[M+NH4]+ 278.233923 180.1
[M+K]+ 299.163258 167.4
[M+H-H2O]+ 243.197360 157.5
[M+HCOO]- 305.198301 184.1
[M+CH3COO]- 319.213951 204.8
[M+Na-2H]- 281.174766 166.7
[M]+ 260.19955142 160.4
[M]- 260.20064858 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.