CID 726893

2-(2'-hydroxy-5'-methacryloxyethylphenyl)-2h-benzotriazole

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CC(=C)C(=O)OCCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3
InChIKey
VCYCUECVHJJFIQ-UHFFFAOYSA-N
Compound name
2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

10043
Patents

323.12698 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 175.9
[M+Na]+ 346.11620 184.9
[M-H]- 322.11970 179.0
[M+NH4]+ 341.16080 188.0
[M+K]+ 362.09014 179.6
[M+H-H2O]+ 306.12424 166.4
[M+HCOO]- 368.12518 194.2
[M+CH3COO]- 382.14083 206.0
[M+Na-2H]- 344.10165 178.2
[M]+ 323.12643 179.6
[M]- 323.12753 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe