CID 135468560

Smsf0018932

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CCC1=CC(=C(C=C1OC(=O)C(C)(C)C)O)/C(=C/C2=NC3=CC=CC=C3N2C)/O
InChI
InChI=1S/C23H26N2O4/c1-6-14-11-15(18(26)12-20(14)29-22(28)23(2,3)4)19(27)13-21-24-16-9-7-8-10-17(16)25(21)5/h7-13,26-27H,6H2,1-5H3/b19-13-
InChIKey
BUYDWMBIMWBQGN-UYRXBGFRSA-N
Compound name
[2-ethyl-5-hydroxy-4-[(Z)-1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethenyl]phenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18927 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 198.1
[M+Na]+ 417.178488 206.4
[M-H]- 393.181994 201.6
[M+NH4]+ 412.223093 208.8
[M+K]+ 433.152428 201.2
[M+H-H2O]+ 377.186530 190.2
[M+HCOO]- 439.187471 213.1
[M+CH3COO]- 453.203121 219.5
[M+Na-2H]- 415.163936 197.3
[M]+ 394.18872142 202.9
[M]- 394.18981858 202.9
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

No patent data available for this compound.