CID 24836812

N'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C19H20ClN5O4
SMILES
COC1=C(C=C(C=C1)NC2=NC(=NC=N2)NC3=CC(=C(C(=C3)OC)OC)OC)Cl
InChI
InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKey
ZVWFECUPYCFYBL-UHFFFAOYSA-N
Compound name
4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

417.1204 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12768 197.0
[M+Na]+ 440.10962 206.1
[M-H]- 416.11312 203.5
[M+NH4]+ 435.15422 203.5
[M+K]+ 456.08356 201.1
[M+H-H2O]+ 400.11766 185.0
[M+HCOO]- 462.11860 214.7
[M+CH3COO]- 476.13425 230.2
[M+Na-2H]- 438.09507 201.4
[M]+ 417.11985 205.2
[M]- 417.12095 205.2
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