CID 484961

Chembl7063

Structural Information

Molecular Formula
C18H24N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N
InChI
InChI=1S/C18H24N4O3/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/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
InChIKey
CEJLKULOOMMHNK-UHFFFAOYSA-N
Compound name
6-[(3,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

344.18484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 184.3
[M+Na]+ 367.17406 191.8
[M-H]- 343.17756 188.5
[M+NH4]+ 362.21866 195.3
[M+K]+ 383.14800 187.6
[M+H-H2O]+ 327.18210 174.1
[M+HCOO]- 389.18304 202.6
[M+CH3COO]- 403.19869 220.4
[M+Na-2H]- 365.15951 186.1
[M]+ 344.18429 184.9
[M]- 344.18539 184.9
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.