CID 3008705

Chembl588733

Structural Information

Molecular Formula
C12H15Cl2N5O
SMILES
CCC1N=C(N=C(N1OCC2=CC(=C(C=C2)Cl)Cl)N)N
InChI
InChI=1S/C12H15Cl2N5O/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18)
InChIKey
CGOUVGAMQAGHPZ-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07265 170.9
[M+Na]+ 338.05459 181.1
[M-H]- 314.05809 172.4
[M+NH4]+ 333.09919 182.3
[M+K]+ 354.02853 174.4
[M+H-H2O]+ 298.06263 162.3
[M+HCOO]- 360.06357 181.6
[M+CH3COO]- 374.07922 209.2
[M+Na-2H]- 336.04004 172.9
[M]+ 315.06482 172.4
[M]- 315.06592 172.4
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.