CID 3124455

Ml055

Structural Information

Molecular Formula
C13H16N6
SMILES
CC1=CC(=NC(=N1)N=C(N)NC2=CC=CC(=C2)N)C
InChI
InChI=1S/C13H16N6/c1-8-6-9(2)17-13(16-8)19-12(15)18-11-5-3-4-10(14)7-11/h3-7H,14H2,1-2H3,(H3,15,16,17,18,19)
InChIKey
XGQAWNOUOJVCQF-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.14365 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.150926 160.2
[M+Na]+ 279.132868 167.5
[M-H]- 255.136374 165.5
[M+NH4]+ 274.177473 173.8
[M+K]+ 295.106808 163.4
[M+H-H2O]+ 239.140910 150.5
[M+HCOO]- 301.141851 185.9
[M+CH3COO]- 315.157501 208.2
[M+Na-2H]- 277.118316 165.9
[M]+ 256.14310142 156.9
[M]- 256.14419858 156.9
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.