CID 205130

17511-21-6

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CC2=C(C(=C1)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C8H7ClN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChIKey
VEVDQDKAMWPQSF-UHFFFAOYSA-N
Compound name
5-chloroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

19
Patents

194.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 138.3
[M+Na]+ 217.02514 149.6
[M-H]- 193.02864 139.9
[M+NH4]+ 212.06974 156.5
[M+K]+ 232.99908 144.2
[M+H-H2O]+ 177.03318 131.7
[M+HCOO]- 239.03412 156.6
[M+CH3COO]- 253.04977 151.3
[M+Na-2H]- 215.01059 146.4
[M]+ 194.03537 137.5
[M]- 194.03647 137.5
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