CID 3001711

Nsc641182

Structural Information

Molecular Formula
C20H18N2OS
SMILES
CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2
InChI
InChI=1S/C20H18N2OS/c1-11(2)12-7-9-13(10-8-12)17-16-14-5-3-4-6-15(14)19(23)18(16)22-20(24)21-17/h3-11,17H,1-2H3,(H2,21,22,24)
InChIKey
GLQTUOVLZRTRHA-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[2,1-d]pyrimidin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.11398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12126 178.7
[M+Na]+ 357.10320 187.7
[M-H]- 333.10670 182.2
[M+NH4]+ 352.14780 193.3
[M+K]+ 373.07714 179.2
[M+H-H2O]+ 317.11124 171.7
[M+HCOO]- 379.11218 187.6
[M+CH3COO]- 393.12783 188.0
[M+Na-2H]- 355.08865 177.2
[M]+ 334.11343 177.0
[M]- 334.11453 177.0
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.