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

0
Patents

310.1066 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 171.3
[M+Na]+ 333.09582 181.3
[M-H]- 309.09932 175.5
[M+NH4]+ 328.14042 181.4
[M+K]+ 349.06976 175.8
[M+H-H2O]+ 293.10386 160.4
[M+HCOO]- 355.10480 190.8
[M+CH3COO]- 369.12045 182.0
[M+Na-2H]- 331.08127 174.4
[M]+ 310.10605 174.3
[M]- 310.10715 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