CID 2305096

[1,2,3,4]tetrazolo[1,5-a]quinoline-4-carbaldehyde

Structural Information

Molecular Formula
C10H6N4O
SMILES
C1=CC=C2C(=C1)C=C(C3=NN=NN23)C=O
InChI
InChI=1S/C10H6N4O/c15-6-8-5-7-3-1-2-4-9(7)14-10(8)11-12-13-14/h1-6H
InChIKey
WAAKFCBUSIIVCY-UHFFFAOYSA-N
Compound name
tetrazolo[1,5-a]quinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

198.05415 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.061426 140.0
[M+Na]+ 221.043368 153.0
[M-H]- 197.046874 141.1
[M+NH4]+ 216.087973 157.9
[M+K]+ 237.017308 148.2
[M+H-H2O]+ 181.051410 131.1
[M+HCOO]- 243.052351 161.1
[M+CH3COO]- 257.068001 153.5
[M+Na-2H]- 219.028816 150.3
[M]+ 198.05360142 143.5
[M]- 198.05469858 143.5
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

patents stripe