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]+ 408.191776 199.8
[M+Na]+ 430.173718 207.0
[M-H]- 406.177224 208.2
[M+NH4]+ 425.218323 212.3
[M+K]+ 446.147658 203.9
[M+H-H2O]+ 390.181760 190.7
[M+HCOO]- 452.182701 222.9
[M+CH3COO]- 466.198351 231.4
[M+Na-2H]- 428.159166 202.2
[M]+ 407.18395142 206.9
[M]- 407.18504858 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.