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

12364
Patents

339.19467 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 183.4
[M+Na]+ 362.183888 191.6
[M-H]- 338.187394 185.6
[M+NH4]+ 357.228493 195.1
[M+K]+ 378.157828 185.3
[M+H-H2O]+ 322.191930 173.0
[M+HCOO]- 384.192871 202.4
[M+CH3COO]- 398.208521 210.1
[M+Na-2H]- 360.169336 186.7
[M]+ 339.19412142 188.9
[M]- 339.19521858 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