CID 9583861

2-thiophenecarbaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone

Structural Information

Molecular Formula
C15H14N4S2
SMILES
C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C/C4=CC=CS4
InChI
InChI=1S/C15H14N4S2/c1-2-6-12-11(5-1)13-14(16-9-17-15(13)21-12)19-18-8-10-4-3-7-20-10/h3-4,7-9H,1-2,5-6H2,(H,16,17,19)/b18-8+
InChIKey
JJXQJLVNRQFYQY-QGMBQPNBSA-N
Compound name
N-[(E)-thiophen-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07326 163.7
[M+Na]+ 337.05520 174.7
[M-H]- 313.05870 171.5
[M+NH4]+ 332.09980 182.9
[M+K]+ 353.02914 168.7
[M+H-H2O]+ 297.06324 157.6
[M+HCOO]- 359.06418 179.2
[M+CH3COO]- 373.07983 176.0
[M+Na-2H]- 335.04065 167.4
[M]+ 314.06543 167.3
[M]- 314.06653 167.3
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.