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]+ 359.17138 180.2
[M+Na]+ 381.15332 186.1
[M-H]- 357.15682 181.3
[M+NH4]+ 376.19792 189.5
[M+K]+ 397.12726 181.6
[M+H-H2O]+ 341.16136 169.9
[M+HCOO]- 403.16230 198.9
[M+CH3COO]- 417.17795 210.9
[M+Na-2H]- 379.13877 185.2
[M]+ 358.16355 184.5
[M]- 358.16465 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.