CID 516572

92144-21-3

Structural Information

Molecular Formula
C12H16ClN5O2S
SMILES
CCN(CC)S(=O)(=O)C1=C(C2=C(C=C1)N=C(N=C2N)N)Cl
InChI
InChI=1S/C12H16ClN5O2S/c1-3-18(4-2)21(19,20)8-6-5-7-9(10(8)13)11(14)17-12(15)16-7/h5-6H,3-4H2,1-2H3,(H4,14,15,16,17)
InChIKey
LXIZEVZFNIAAOK-UHFFFAOYSA-N
Compound name
2,4-diamino-5-chloro-N,N-diethylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.07132 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07860 172.2
[M+Na]+ 352.06054 182.0
[M-H]- 328.06404 175.2
[M+NH4]+ 347.10514 185.8
[M+K]+ 368.03448 176.9
[M+H-H2O]+ 312.06858 165.4
[M+HCOO]- 374.06952 184.5
[M+CH3COO]- 388.08517 215.6
[M+Na-2H]- 350.04599 176.1
[M]+ 329.07077 176.7
[M]- 329.07187 176.7
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.