CID 462601

5-(2-methoxyphenyl)sulfanylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H14N4OS
SMILES
COC1=CC=CC=C1SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C15H14N4OS/c1-20-10-6-2-3-7-11(10)21-12-8-4-5-9-13(12)14(16)19-15(17)18-9/h2-8H,1H3,(H4,16,17,18,19)
InChIKey
QVUKASGTDFRHBU-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)sulfanylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08884 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09612 165.6
[M+Na]+ 321.07806 175.6
[M-H]- 297.08156 170.3
[M+NH4]+ 316.12266 179.1
[M+K]+ 337.05200 169.0
[M+H-H2O]+ 281.08610 156.9
[M+HCOO]- 343.08704 182.8
[M+CH3COO]- 357.10269 176.6
[M+Na-2H]- 319.06351 170.4
[M]+ 298.08829 166.9
[M]- 298.08939 166.9
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.