CID 456573

Chembl48954

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
CC1=C(C=CC2=C1C(=NC(=N2)N)N)S(=O)(=O)N(C)C
InChI
InChI=1S/C11H15N5O2S/c1-6-8(19(17,18)16(2)3)5-4-7-9(6)10(12)15-11(13)14-7/h4-5H,1-3H3,(H4,12,13,14,15)
InChIKey
KQZYRJQXYVUDEU-UHFFFAOYSA-N
Compound name
2,4-diamino-N,N,5-trimethylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10192 161.9
[M+Na]+ 304.08386 171.7
[M-H]- 280.08736 165.1
[M+NH4]+ 299.12846 176.5
[M+K]+ 320.05780 168.0
[M+H-H2O]+ 264.09190 154.3
[M+HCOO]- 326.09284 179.0
[M+CH3COO]- 340.10849 209.1
[M+Na-2H]- 302.06931 166.6
[M]+ 281.09409 164.0
[M]- 281.09519 164.0
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.