CID 6430809

72058-41-4

Structural Information

Molecular Formula
C11H18Cl2N4
SMILES
CC(C)(C)CC(C)(C)NC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C11H18Cl2N4/c1-10(2,3)6-11(4,5)17-9-15-7(12)14-8(13)16-9/h6H2,1-5H3,(H,14,15,16,17)
InChIKey
HPFWYRKGZUGGPB-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7352
Patents

276.09085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09813 164.7
[M+Na]+ 299.08007 173.9
[M-H]- 275.08357 163.8
[M+NH4]+ 294.12467 178.4
[M+K]+ 315.05401 168.7
[M+H-H2O]+ 259.08811 157.6
[M+HCOO]- 321.08905 172.3
[M+CH3COO]- 335.10470 201.0
[M+Na-2H]- 297.06552 170.6
[M]+ 276.09030 168.0
[M]- 276.09140 168.0
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