CID 65087

1899-48-5

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)N)N
InChI
InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
InChIKey
XELRMPRLCPFTBH-UHFFFAOYSA-N
Compound name
quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

68
References

1458
Patents

160.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 131.0
[M+Na]+ 183.064108 140.8
[M-H]- 159.067614 132.7
[M+NH4]+ 178.108713 149.5
[M+K]+ 199.038048 137.0
[M+H-H2O]+ 143.072150 123.7
[M+HCOO]- 205.073091 154.1
[M+CH3COO]- 219.088741 144.3
[M+Na-2H]- 181.049556 140.6
[M]+ 160.07434142 127.9
[M]- 160.07543858 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