CID 15752107

3147-77-1

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCCCCCCCOC1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3
InChIKey
ITLDHFORLZTRJI-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-5-octoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12892
Patents

339.19467 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 183.4
[M+Na]+ 362.18389 191.6
[M-H]- 338.18739 185.6
[M+NH4]+ 357.22849 195.1
[M+K]+ 378.15783 185.3
[M+H-H2O]+ 322.19193 173.0
[M+HCOO]- 384.19287 202.4
[M+CH3COO]- 398.20852 210.1
[M+Na-2H]- 360.16934 186.7
[M]+ 339.19412 188.9
[M]- 339.19522 188.9
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