CID 484956

Chembl268355

Structural Information

Molecular Formula
C16H20N4O
SMILES
COC1=CC=CC(=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N
InChI
InChI=1S/C16H20N4O/c1-21-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)15(17)20-16(18)19-14/h2-4,8,11H,5-7,9H2,1H3,(H4,17,18,19,20)
InChIKey
CMALOCWWCHGZIN-UHFFFAOYSA-N
Compound name
6-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

284.1637 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 167.8
[M+Na]+ 307.15292 174.9
[M-H]- 283.15642 171.6
[M+NH4]+ 302.19752 181.0
[M+K]+ 323.12686 169.6
[M+H-H2O]+ 267.16096 158.1
[M+HCOO]- 329.16190 186.7
[M+CH3COO]- 343.17755 177.8
[M+Na-2H]- 305.13837 172.1
[M]+ 284.16315 164.2
[M]- 284.16425 164.2
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.