CID 484963

Chembl6696

Structural Information

Molecular Formula
C10H16N4
SMILES
CCC1CCC2=C(C1)C(=NC(=N2)N)N
InChI
InChI=1S/C10H16N4/c1-2-6-3-4-8-7(5-6)9(11)14-10(12)13-8/h6H,2-5H2,1H3,(H4,11,12,13,14)
InChIKey
MXKYJSLULQXXGG-UHFFFAOYSA-N
Compound name
6-ethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

192.1375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 143.9
[M+Na]+ 215.12672 151.6
[M-H]- 191.13022 144.8
[M+NH4]+ 210.17132 161.2
[M+K]+ 231.10066 147.8
[M+H-H2O]+ 175.13476 136.2
[M+HCOO]- 237.13570 163.3
[M+CH3COO]- 251.15135 189.9
[M+Na-2H]- 213.11217 149.4
[M]+ 192.13695 138.9
[M]- 192.13805 138.9
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.