CID 18680650

275371-71-6

Structural Information

Molecular Formula
C23H26ClN3O4
SMILES
CC(=C)C(=O)OCCCOC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
InChI
InChI=1S/C23H26ClN3O4/c1-14(2)22(29)31-10-6-9-30-16-12-17(23(3,4)5)21(28)20(13-16)27-25-18-8-7-15(24)11-19(18)26-27/h7-8,11-13,28H,1,6,9-10H2,2-5H3
InChIKey
BTGYQHGWZLBJOB-UHFFFAOYSA-N
Compound name
3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenoxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

443.1612 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.16848 207.7
[M+Na]+ 466.15042 216.9
[M-H]- 442.15392 211.0
[M+NH4]+ 461.19502 216.4
[M+K]+ 482.12436 210.8
[M+H-H2O]+ 426.15846 198.8
[M+HCOO]- 488.15940 218.2
[M+CH3COO]- 502.17505 228.5
[M+Na-2H]- 464.13587 206.9
[M]+ 443.16065 216.9
[M]- 443.16175 216.9
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