CID 490664

Chembl441298

Structural Information

Molecular Formula
C19H22N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCC2=C3C(=CC=C2)N=C(N=C3N)N
InChI
InChI=1S/C19H22N4O3/c1-24-14-9-11(10-15(25-2)17(14)26-3)7-8-12-5-4-6-13-16(12)18(20)23-19(21)22-13/h4-6,9-10H,7-8H2,1-3H3,(H4,20,21,22,23)
InChIKey
ICUYNYUOYHOQEB-UHFFFAOYSA-N
Compound name
5-[2-(3,4,5-trimethoxyphenyl)ethyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 187.1
[M+Na]+ 377.15842 196.1
[M-H]- 353.16192 191.9
[M+NH4]+ 372.20302 197.8
[M+K]+ 393.13236 191.4
[M+H-H2O]+ 337.16646 176.6
[M+HCOO]- 399.16740 207.9
[M+CH3COO]- 413.18305 222.6
[M+Na-2H]- 375.14387 190.3
[M]+ 354.16865 190.9
[M]- 354.16975 190.9
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.