CID 22507476

Ec 419-750-9

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC(=C)C
InChI
InChI=1S/C17H17N3O/c1-11(2)8-13-9-12(3)10-16(17(13)21)20-18-14-6-4-5-7-15(14)19-20/h4-7,9-10,21H,1,8H2,2-3H3
InChIKey
HLTVXJZFIFRXDB-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-methyl-6-(2-methylprop-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

896
Patents

279.13718 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 166.6
[M+Na]+ 302.126398 177.5
[M-H]- 278.129904 170.1
[M+NH4]+ 297.171003 181.2
[M+K]+ 318.100338 171.0
[M+H-H2O]+ 262.134440 157.6
[M+HCOO]- 324.135381 185.8
[M+CH3COO]- 338.151031 178.2
[M+Na-2H]- 300.111846 169.7
[M]+ 279.13663142 169.0
[M]- 279.13772858 169.0
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