CID 135434146

2,4-diamino-5-(2-naphthylsulfanyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C14H12N4OS
SMILES
C1=CC=C2C=C(C=CC2=C1)SC3=C(N=C(NC3=O)N)N
InChI
InChI=1S/C14H12N4OS/c15-12-11(13(19)18-14(16)17-12)20-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H5,15,16,17,18,19)
InChIKey
MLBVIMXFMVEPSP-UHFFFAOYSA-N
Compound name
2,4-diamino-5-naphthalen-2-ylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07318 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 160.9
[M+Na]+ 307.06240 171.2
[M-H]- 283.06590 164.4
[M+NH4]+ 302.10700 174.2
[M+K]+ 323.03634 163.3
[M+H-H2O]+ 267.07044 152.8
[M+HCOO]- 329.07138 177.0
[M+CH3COO]- 343.08703 171.7
[M+Na-2H]- 305.04785 165.7
[M]+ 284.07263 159.4
[M]- 284.07373 159.4
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.