CID 516577

6-(morpholine-4-sulfonyl)-quinazoline-2,4-diamine

Structural Information

Molecular Formula
C12H15N5O3S
SMILES
C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C12H15N5O3S/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H4,13,14,15,16)
InChIKey
JRHGFSNJCDBIAV-UHFFFAOYSA-N
Compound name
6-morpholin-4-ylsulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.08957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09685 167.9
[M+Na]+ 332.07879 175.8
[M-H]- 308.08229 171.1
[M+NH4]+ 327.12339 177.5
[M+K]+ 348.05273 171.7
[M+H-H2O]+ 292.08683 159.1
[M+HCOO]- 354.08777 178.8
[M+CH3COO]- 368.10342 177.3
[M+Na-2H]- 330.06424 173.5
[M]+ 309.08902 165.4
[M]- 309.09012 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.