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

789
Patents

279.13718 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 166.6
[M+Na]+ 302.12640 177.5
[M-H]- 278.12990 170.1
[M+NH4]+ 297.17100 181.2
[M+K]+ 318.10034 171.0
[M+H-H2O]+ 262.13444 157.6
[M+HCOO]- 324.13538 185.8
[M+CH3COO]- 338.15103 178.2
[M+Na-2H]- 300.11185 169.7
[M]+ 279.13663 169.0
[M]- 279.13773 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