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 167.2
[M+Na]+ 304.11688 177.9
[M-H]- 280.12038 170.2
[M+NH4]+ 299.16148 177.5
[M+K]+ 320.09082 171.4
[M+H-H2O]+ 264.12492 156.1
[M+HCOO]- 326.12586 185.1
[M+CH3COO]- 340.14151 177.8
[M+Na-2H]- 302.10233 170.6
[M]+ 281.12711 168.3
[M]- 281.12821 168.3
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