CID 516582

92144-28-0

Structural Information

Molecular Formula
C14H11Cl2N5O2S
SMILES
C1=CC(=C(C=C1NS(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)Cl)Cl
InChI
InChI=1S/C14H11Cl2N5O2S/c15-10-3-1-7(5-11(10)16)21-24(22,23)8-2-4-12-9(6-8)13(17)20-14(18)19-12/h1-6,21H,(H4,17,18,19,20)
InChIKey
HHWIWTYLCSYMPN-UHFFFAOYSA-N
Compound name
2,4-diamino-N-(3,4-dichlorophenyl)quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.00104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00832 181.6
[M+Na]+ 405.99026 192.9
[M-H]- 381.99376 186.1
[M+NH4]+ 401.03486 192.7
[M+K]+ 421.96420 185.0
[M+H-H2O]+ 365.99830 174.8
[M+HCOO]- 427.99924 189.2
[M+CH3COO]- 442.01489 191.3
[M+Na-2H]- 403.97571 186.6
[M]+ 383.00049 185.1
[M]- 383.00159 185.1
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.