CID 6410788

Tribendilol

Structural Information

Molecular Formula
C18H22N4O4
SMILES
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=NNN=C32)O
InChI
InChI=1S/C18H22N4O4/c1-24-15-6-2-3-7-16(15)25-10-9-19-11-13(23)12-26-17-8-4-5-14-18(17)21-22-20-14/h2-8,13,19,23H,9-12H2,1H3,(H,20,21,22)
InChIKey
ZYRINAZRTBCAEE-UHFFFAOYSA-N
Compound name
1-(2H-benzotriazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

358.1641 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.171376 180.2
[M+Na]+ 381.153318 186.1
[M-H]- 357.156824 181.3
[M+NH4]+ 376.197923 189.5
[M+K]+ 397.127258 181.6
[M+H-H2O]+ 341.161360 169.9
[M+HCOO]- 403.162301 198.9
[M+CH3COO]- 417.177951 210.9
[M+Na-2H]- 379.138766 185.2
[M]+ 358.16355142 184.5
[M]- 358.16464858 184.5
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

No patent data available for this compound.