CID 44179

Zidometacin

Structural Information

Molecular Formula
C19H16N4O4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)N=[N+]=[N-])C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H16N4O4/c1-11-15(10-18(24)25)16-9-14(27-2)7-8-17(16)23(11)19(26)12-3-5-13(6-4-12)21-22-20/h3-9H,10H2,1-2H3,(H,24,25)
InChIKey
DCXHLPGLBYHNMU-UHFFFAOYSA-N
Compound name
2-[1-(4-azidobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8414
Patents

364.11716 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12444 183.3
[M+Na]+ 387.10638 196.7
[M+NH4]+ 382.15098 189.2
[M+K]+ 403.08032 194.3
[M-H]- 363.10988 188.6
[M+Na-2H]- 385.09183 189.7
[M]+ 364.11661 186.4
[M]- 364.11771 186.4
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