CID 484960

Chembl267616

Structural Information

Molecular Formula
C17H22N4O2
SMILES
COC1=C(C=C(C=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N)OC
InChI
InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
InChIKey
XVXBYTNVUPDKPO-UHFFFAOYSA-N
Compound name
6-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

314.1743 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.1
[M+Na]+ 337.16352 183.5
[M-H]- 313.16702 180.2
[M+NH4]+ 332.20812 188.3
[M+K]+ 353.13746 178.7
[M+H-H2O]+ 297.17156 166.2
[M+HCOO]- 359.17250 194.8
[M+CH3COO]- 373.18815 213.8
[M+Na-2H]- 335.14897 179.2
[M]+ 314.17375 174.7
[M]- 314.17485 174.7
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.