CID 112412

2-(2h-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol

Structural Information

Molecular Formula
C30H29N3O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C5=CC=CC=C5
InChI
InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3
InChIKey
OLFNXLXEGXRUOI-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

27070
Patents

447.23105 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23833 216.1
[M+Na]+ 470.22027 223.7
[M-H]- 446.22377 224.9
[M+NH4]+ 465.26487 222.3
[M+K]+ 486.19421 215.0
[M+H-H2O]+ 430.22831 203.8
[M+HCOO]- 492.22925 230.0
[M+CH3COO]- 506.24490 223.5
[M+Na-2H]- 468.20572 219.5
[M]+ 447.23050 217.1
[M]- 447.23160 217.1
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