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

15
Patents

285.97153 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.978806 144.8
[M+Na]+ 308.960748 147.8
[M-H]- 284.964254 139.6
[M+NH4]+ 304.005353 157.8
[M+K]+ 324.934688 149.7
[M+H-H2O]+ 268.968790 133.8
[M+HCOO]- 330.969731 162.3
[M+CH3COO]- 344.985381 153.3
[M+Na-2H]- 306.946196 140.9
[M]+ 285.97098142 139.6
[M]- 285.97207858 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