CID 82414923

Thieno[3,2-d]pyrimidine-6-carbaldehyde

Structural Information

Molecular Formula
C7H4N2OS
SMILES
C1=C(SC2=CN=CN=C21)C=O
InChI
InChI=1S/C7H4N2OS/c10-3-5-1-6-7(11-5)2-8-4-9-6/h1-4H
InChIKey
ANKRLYBJOFRCJC-UHFFFAOYSA-N
Compound name
thieno[3,2-d]pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

164.00444 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.011716 127.8
[M+Na]+ 186.993658 140.6
[M-H]- 162.997164 131.1
[M+NH4]+ 182.038263 149.9
[M+K]+ 202.967598 137.4
[M+H-H2O]+ 147.001700 121.9
[M+HCOO]- 209.002641 148.1
[M+CH3COO]- 223.018291 143.0
[M+Na-2H]- 184.979106 134.5
[M]+ 164.00389142 132.7
[M]- 164.00498858 132.7
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

patents stripe