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]+ 254.128776 160.0
[M+Na]+ 276.110718 170.0
[M-H]- 252.114224 162.7
[M+NH4]+ 271.155323 175.4
[M+K]+ 292.084658 164.5
[M+H-H2O]+ 236.118760 150.3
[M+HCOO]- 298.119701 177.0
[M+CH3COO]- 312.135351 171.2
[M+Na-2H]- 274.096166 168.0
[M]+ 253.12095142 159.3
[M]- 253.12204858 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.