CID 3008704

1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2h-1,3,5-triazine-4,6-diamine

Structural Information

Molecular Formula
C11H13Cl2N5O
SMILES
CC1N=C(N=C(N1OCC2=CC(=C(C=C2)Cl)Cl)N)N
InChI
InChI=1S/C11H13Cl2N5O/c1-6-16-10(14)17-11(15)18(6)19-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H4,14,15,16,17)
InChIKey
ZBLYBHYGBADKIE-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0497 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05698 166.6
[M+Na]+ 324.03892 177.2
[M-H]- 300.04242 168.2
[M+NH4]+ 319.08352 178.5
[M+K]+ 340.01286 170.7
[M+H-H2O]+ 284.04696 158.2
[M+HCOO]- 346.04790 177.6
[M+CH3COO]- 360.06355 206.3
[M+Na-2H]- 322.02437 169.0
[M]+ 301.04915 167.7
[M]- 301.05025 167.7
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.