CID 2111480

746610-48-0

Structural Information

Molecular Formula
C16H10N6O2S
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C(=O)N4C=CC=CC4=N3)C=O
InChI
InChI=1S/C16H10N6O2S/c23-10-12-14(17-13-8-4-5-9-21(13)15(12)24)25-16-18-19-20-22(16)11-6-2-1-3-7-11/h1-10H
InChIKey
VKKBYUFPWVKCRL-UHFFFAOYSA-N
Compound name
4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06588 180.5
[M+Na]+ 373.04782 194.7
[M-H]- 349.05132 185.3
[M+NH4]+ 368.09242 188.8
[M+K]+ 389.02176 186.3
[M+H-H2O]+ 333.05586 169.8
[M+HCOO]- 395.05680 195.2
[M+CH3COO]- 409.07245 191.0
[M+Na-2H]- 371.03327 184.5
[M]+ 350.05805 186.4
[M]- 350.05915 186.4
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.