CID 514106

512180-65-3

Structural Information

Molecular Formula
C21H16N2O4
SMILES
CC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)O)O
InChI
InChI=1S/C21H16N2O4/c1-12(24)19-17-9-8-16(11-18(17)23(27)21(19)26)22-20(25)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26-27H,1H3,(H,22,25)
InChIKey
ZTZXYRRDBCFZQC-UHFFFAOYSA-N
Compound name
N-(3-acetyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

360.111 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11828 182.6
[M+Na]+ 383.10022 191.5
[M-H]- 359.10372 188.6
[M+NH4]+ 378.14482 196.0
[M+K]+ 399.07416 186.0
[M+H-H2O]+ 343.10826 174.6
[M+HCOO]- 405.10920 201.8
[M+CH3COO]- 419.12485 193.0
[M+Na-2H]- 381.08567 185.4
[M]+ 360.11045 185.0
[M]- 360.11155 185.0
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.