CID 3666360

461710-19-0

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C23H25N3O4/c1-5-30-19(27)14-26-18-9-7-6-8-17(18)20(22(26)29)24-25-21(28)15-10-12-16(13-11-15)23(2,3)4/h6-13,29H,5,14H2,1-4H3
InChIKey
NXFLUWVPBTUKOC-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[(4-tert-butylbenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 199.8
[M+Na]+ 430.17372 207.0
[M-H]- 406.17722 208.2
[M+NH4]+ 425.21832 212.3
[M+K]+ 446.14766 203.9
[M+H-H2O]+ 390.18176 190.7
[M+HCOO]- 452.18270 222.9
[M+CH3COO]- 466.19835 231.4
[M+Na-2H]- 428.15917 202.2
[M]+ 407.18395 206.9
[M]- 407.18505 206.9
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.