CID 338892

85010-45-3

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=CC=C(C=C1)C2(C3=CC=CC=C3N=NN2C)O
InChI
InChI=1S/C15H15N3O/c1-11-7-9-12(10-8-11)15(19)13-5-3-4-6-14(13)16-17-18(15)2/h3-10,19H,1-2H3
InChIKey
RJNUGUHYHJYXJO-UHFFFAOYSA-N
Compound name
3-methyl-4-(4-methylphenyl)-1,2,3-benzotriazin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 160.0
[M+Na]+ 276.11072 170.0
[M-H]- 252.11422 162.7
[M+NH4]+ 271.15532 175.4
[M+K]+ 292.08466 164.5
[M+H-H2O]+ 236.11876 150.3
[M+HCOO]- 298.11970 177.0
[M+CH3COO]- 312.13535 171.2
[M+Na-2H]- 274.09617 168.0
[M]+ 253.12095 159.3
[M]- 253.12205 159.3
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

No patent data available for this compound.