CID 198710

119584-76-8

Structural Information

Molecular Formula
C8H7IN4
SMILES
C1=CC2=C(C(=C1)I)C(=NC(=N2)N)N
InChI
InChI=1S/C8H7IN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChIKey
SUZLYYOTNUWNLR-UHFFFAOYSA-N
Compound name
5-iodoquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

285.97153 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97881 144.8
[M+Na]+ 308.96075 147.8
[M-H]- 284.96425 139.6
[M+NH4]+ 304.00535 157.8
[M+K]+ 324.93469 149.7
[M+H-H2O]+ 268.96879 133.8
[M+HCOO]- 330.96973 162.3
[M+CH3COO]- 344.98538 153.3
[M+Na-2H]- 306.94620 140.9
[M]+ 285.97098 139.6
[M]- 285.97208 139.6
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