CID 3001446

108618-38-8

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C2C=C(C=CC2=C1)CC3=CC(=O)NC(=S)N3
InChI
InChI=1S/C15H12N2OS/c18-14-9-13(16-15(19)17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H2,16,17,18,19)
InChIKey
RTABYIHINFKBLO-UHFFFAOYSA-N
Compound name
6-(naphthalen-2-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06705 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 157.4
[M+Na]+ 291.05627 168.0
[M-H]- 267.05977 160.3
[M+NH4]+ 286.10087 171.7
[M+K]+ 307.03021 159.3
[M+H-H2O]+ 251.06431 149.8
[M+HCOO]- 313.06525 171.3
[M+CH3COO]- 327.08090 168.5
[M+Na-2H]- 289.04172 162.5
[M]+ 268.06650 156.5
[M]- 268.06760 156.5
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

No patent data available for this compound.