CID 23579720

Ns00073826

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)N2NC3=CC=CC=C3N2)O)C(C)(C)CC
InChI
InChI=1S/C22H31N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,23-24,26H,7-8H2,1-6H3
InChIKey
BSFNGLVBIRYOKZ-UHFFFAOYSA-N
Compound name
2-(1,3-dihydrobenzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

353.2467 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.253976 194.5
[M+Na]+ 376.235918 200.8
[M-H]- 352.239424 194.2
[M+NH4]+ 371.280523 204.8
[M+K]+ 392.209858 193.5
[M+H-H2O]+ 336.243960 186.6
[M+HCOO]- 398.244901 203.5
[M+CH3COO]- 412.260551 212.1
[M+Na-2H]- 374.221366 195.3
[M]+ 353.24615142 192.5
[M]- 353.24724858 192.5
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