CID 461926

Chembl138265

Structural Information

Molecular Formula
C19H22ClN5O3
SMILES
CN(CC1=CC(=C(C(=C1)OC)OC)OC)C2=C(C3=C(C=C2)N=C(N=C3N)N)Cl
InChI
InChI=1S/C19H22ClN5O3/c1-25(9-10-7-13(26-2)17(28-4)14(8-10)27-3)12-6-5-11-15(16(12)20)18(21)24-19(22)23-11/h5-8H,9H2,1-4H3,(H4,21,22,23,24)
InChIKey
GXJOAUPEPJOTFB-UHFFFAOYSA-N
Compound name
5-chloro-6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

403.1411 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14838 197.5
[M+Na]+ 426.13032 207.3
[M-H]- 402.13382 203.9
[M+NH4]+ 421.17492 207.7
[M+K]+ 442.10426 202.9
[M+H-H2O]+ 386.13836 187.6
[M+HCOO]- 448.13930 215.3
[M+CH3COO]- 462.15495 235.8
[M+Na-2H]- 424.11577 199.5
[M]+ 403.14055 204.7
[M]- 403.14165 204.7
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

No patent data available for this compound.