CID 74696

5,6,7,8-tetrahydroquinazoline-2,4-diamine

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CCC2=C(C1)C(=NC(=N2)N)N
InChI
InChI=1S/C8H12N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H4,9,10,11,12)
InChIKey
ILYYGQJVLQUTAM-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

27
Patents

164.1062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 133.9
[M+Na]+ 187.095418 141.6
[M-H]- 163.098924 134.8
[M+NH4]+ 182.140023 152.1
[M+K]+ 203.069358 138.3
[M+H-H2O]+ 147.103460 126.5
[M+HCOO]- 209.104401 154.1
[M+CH3COO]- 223.120051 146.0
[M+Na-2H]- 185.080866 141.4
[M]+ 164.10565142 127.9
[M]- 164.10674858 127.9
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

patents stripe