CID 484967

Chembl7170

Structural Information

Molecular Formula
C13H20N4O
SMILES
C1CC(OC1)CC2CCC3=C(C2)C(=NC(=N3)N)N
InChI
InChI=1S/C13H20N4O/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h8-9H,1-7H2,(H4,14,15,16,17)
InChIKey
MPOFXJDDRWTNRP-UHFFFAOYSA-N
Compound name
6-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.16371 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 157.4
[M+Na]+ 271.15293 162.9
[M-H]- 247.15643 161.4
[M+NH4]+ 266.19753 172.3
[M+K]+ 287.12687 159.8
[M+H-H2O]+ 231.16097 148.7
[M+HCOO]- 293.16191 174.4
[M+CH3COO]- 307.17756 167.7
[M+Na-2H]- 269.13838 159.9
[M]+ 248.16316 151.0
[M]- 248.16426 151.0
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.