CID 15563653

3-methyl-6,7-diphenyl-2-sulfanyl-pteridin-4-one; platinum(2+)

Structural Information

Molecular Formula
C19H14N4OS
SMILES
CN1C(=O)C2=C(NC1=S)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N4OS/c1-23-18(24)16-17(22-19(23)25)21-15(13-10-6-3-7-11-13)14(20-16)12-8-4-2-5-9-12/h2-11H,1H3,(H,21,22,25)
InChIKey
CKIYCYDDMJTHHH-UHFFFAOYSA-N
Compound name
3-methyl-6,7-diphenyl-2-sulfanylidene-1H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08884 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09612 182.2
[M+Na]+ 369.07806 194.5
[M-H]- 345.08156 187.1
[M+NH4]+ 364.12266 190.9
[M+K]+ 385.05200 184.4
[M+H-H2O]+ 329.08610 171.5
[M+HCOO]- 391.08704 194.5
[M+CH3COO]- 405.10269 191.8
[M+Na-2H]- 367.06351 186.3
[M]+ 346.08829 183.2
[M]- 346.08939 183.2
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.