CID 31085

Ns00126556

Structural Information

Molecular Formula
C12H15Cl2N5O
SMILES
CC1(N=C(N=C(N1COC2=CC(=C(C=C2)Cl)Cl)N)N)C
InChI
InChI=1S/C12H15Cl2N5O/c1-12(2)18-10(15)17-11(16)19(12)6-20-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKey
XBWXVXLHPIHPSL-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.072646 168.1
[M+Na]+ 338.054588 179.3
[M-H]- 314.058094 170.1
[M+NH4]+ 333.099193 181.6
[M+K]+ 354.028528 173.0
[M+H-H2O]+ 298.062630 160.5
[M+HCOO]- 360.063571 179.0
[M+CH3COO]- 374.079221 208.8
[M+Na-2H]- 336.040036 171.5
[M]+ 315.06482142 170.0
[M]- 315.06591858 170.0
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.