CID 735909

81261-93-0

Structural Information

Molecular Formula
C12H14N4
SMILES
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)N)C
InChI
InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
SFVBOQCTJBQABR-UHFFFAOYSA-N
Compound name
4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

214.12184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 148.8
[M+Na]+ 237.111058 157.6
[M-H]- 213.114564 153.1
[M+NH4]+ 232.155663 164.3
[M+K]+ 253.084998 153.1
[M+H-H2O]+ 197.119100 140.0
[M+HCOO]- 259.120041 172.6
[M+CH3COO]- 273.135691 194.0
[M+Na-2H]- 235.096506 155.7
[M]+ 214.12129142 147.0
[M]- 214.12238858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe