CID 471148

Quinazoline-2,4,5,6-tetramine

Structural Information

Molecular Formula
C8H10N6
SMILES
C1=CC2=C(C(=C1N)N)C(=NC(=N2)N)N
InChI
InChI=1S/C8H10N6/c9-3-1-2-4-5(6(3)10)7(11)14-8(12)13-4/h1-2H,9-10H2,(H4,11,12,13,14)
InChIKey
QTMJIODDNNBRTK-UHFFFAOYSA-N
Compound name
quinazoline-2,4,5,6-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

190.0967 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10398 139.4
[M+Na]+ 213.08592 149.5
[M-H]- 189.08942 140.9
[M+NH4]+ 208.13052 156.1
[M+K]+ 229.05986 145.2
[M+H-H2O]+ 173.09396 132.0
[M+HCOO]- 235.09490 163.2
[M+CH3COO]- 249.11055 151.7
[M+Na-2H]- 211.07137 146.3
[M]+ 190.09615 133.9
[M]- 190.09725 133.9
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