CID 59805

104065-29-4

Structural Information

Molecular Formula
C16H14N4O3
SMILES
COC1=CC(=CC(=C1O)CN2N=C(N=N2)C3=CC=CC=C3)C=O
InChI
InChI=1S/C16H14N4O3/c1-23-14-8-11(10-21)7-13(15(14)22)9-20-18-16(17-19-20)12-5-3-2-4-6-12/h2-8,10,22H,9H2,1H3
InChIKey
GDYBDKGSGCSFEA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methoxy-5-[(5-phenyltetrazol-2-yl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.1066 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.113876 171.3
[M+Na]+ 333.095818 181.3
[M-H]- 309.099324 175.5
[M+NH4]+ 328.140423 181.4
[M+K]+ 349.069758 175.8
[M+H-H2O]+ 293.103860 160.4
[M+HCOO]- 355.104801 190.8
[M+CH3COO]- 369.120451 182.0
[M+Na-2H]- 331.081266 174.4
[M]+ 310.10605142 174.3
[M]- 310.10714858 174.3
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

patents stripe