CID 1503699

104186-22-3

Structural Information

Molecular Formula
C15H15N5O
SMILES
CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CN=CC=C3
InChI
InChI=1S/C15H15N5O/c1-10-6-12(7-11(2)14(10)21)9-20-18-15(17-19-20)13-4-3-5-16-8-13/h3-8,21H,9H2,1-2H3
InChIKey
CDJGKUZBSAYMME-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-[(5-pyridin-3-yltetrazol-2-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 166.5
[M+Na]+ 304.11688 182.5
[M+NH4]+ 299.16148 172.7
[M+K]+ 320.09082 177.4
[M-H]- 280.12038 169.5
[M+Na-2H]- 302.10233 175.8
[M]+ 281.12711 169.6
[M]- 281.12821 169.6
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.