CID 501274

Schembl5355655

Structural Information

Molecular Formula
C18H20N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C18H20N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h4-5,7-9H,6H2,1-3H3,(H4,19,20,21,22)
InChIKey
AILAXQWIEUOAII-UHFFFAOYSA-N
Compound name
6-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.15353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 182.7
[M+Na]+ 363.14275 192.2
[M-H]- 339.14625 187.7
[M+NH4]+ 358.18735 194.0
[M+K]+ 379.11669 187.6
[M+H-H2O]+ 323.15079 172.4
[M+HCOO]- 385.15173 203.9
[M+CH3COO]- 399.16738 219.6
[M+Na-2H]- 361.12820 186.4
[M]+ 340.15298 186.1
[M]- 340.15408 186.1
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