CID 9579422

5-(2-furyl)-2-methyl-3-[(e)-2-thienylmethyleneamino]thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C16H11N3O2S2
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=CC=CS4
InChI
InChI=1S/C16H11N3O2S2/c1-10-18-15-14(12(9-23-15)13-5-2-6-21-13)16(20)19(10)17-8-11-4-3-7-22-11/h2-9H,1H3/b17-8+
InChIKey
MBOIJEXDZMBXCA-CAOOACKPSA-N
Compound name
5-(furan-2-yl)-2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.02927 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03655 177.1
[M+Na]+ 364.01849 193.4
[M-H]- 340.02199 190.9
[M+NH4]+ 359.06309 195.8
[M+K]+ 379.99243 189.0
[M+H-H2O]+ 324.02653 172.7
[M+HCOO]- 386.02747 197.8
[M+CH3COO]- 400.04312 192.0
[M+Na-2H]- 362.00394 176.8
[M]+ 341.02872 188.5
[M]- 341.02982 188.5
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.