CID 516583

92184-45-7

Structural Information

Molecular Formula
C14H12BrN5O2S
SMILES
C1=CC(=CC(=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C14H12BrN5O2S/c15-8-2-1-3-9(6-8)20-23(21,22)10-4-5-12-11(7-10)13(16)19-14(17)18-12/h1-7,20H,(H4,16,17,18,19)
InChIKey
QTSNXDQKDYBOQS-UHFFFAOYSA-N
Compound name
2,4-diamino-N-(3-bromophenyl)quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.9895 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99678 167.7
[M+Na]+ 415.97872 179.6
[M-H]- 391.98222 174.7
[M+NH4]+ 411.02332 180.5
[M+K]+ 431.95266 165.1
[M+H-H2O]+ 375.98676 165.0
[M+HCOO]- 437.98770 182.7
[M+CH3COO]- 452.00335 179.7
[M+Na-2H]- 413.96417 176.3
[M]+ 392.98895 185.7
[M]- 392.99005 185.7
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.