CID 516571

2,4-diamino-5-chloro-quinazoline-6-sulfonic acid dimethylamide

Structural Information

Molecular Formula
C10H12ClN5O2S
SMILES
CN(C)S(=O)(=O)C1=C(C2=C(C=C1)N=C(N=C2N)N)Cl
InChI
InChI=1S/C10H12ClN5O2S/c1-16(2)19(17,18)6-4-3-5-7(8(6)11)9(12)15-10(13)14-5/h3-4H,1-2H3,(H4,12,13,14,15)
InChIKey
FHUUSNMEGAIZEQ-UHFFFAOYSA-N
Compound name
2,4-diamino-5-chloro-N,N-dimethylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.04 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04728 163.6
[M+Na]+ 324.02922 174.3
[M-H]- 300.03272 167.0
[M+NH4]+ 319.07382 178.3
[M+K]+ 340.00316 169.5
[M+H-H2O]+ 284.03726 157.1
[M+HCOO]- 346.03820 176.5
[M+CH3COO]- 360.05385 209.7
[M+Na-2H]- 322.01467 168.3
[M]+ 301.03945 167.4
[M]- 301.04055 167.4
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

No patent data available for this compound.