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
2
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

literature stripe

Patent stripe

patents stripe