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

1
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

literature stripe

Patent stripe

patents stripe