CID 3077989

Brn 4895518

Structural Information

Molecular Formula
C31H21N5O4
SMILES
C1=CC=C(C=C1)C2=C(C=C3C=CC=NC3=N2)C(=O)C4=CC=C(C=C4)OCC(=O)N=NC5=C(NC6=CC=CC=C65)O
InChI
InChI=1S/C31H21N5O4/c37-26(35-36-28-23-10-4-5-11-25(23)33-31(28)39)18-40-22-14-12-20(13-15-22)29(38)24-17-21-9-6-16-32-30(21)34-27(24)19-7-2-1-3-8-19/h1-17,33,39H,18H2
InChIKey
YJGYJCFRDYTHCH-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.15936 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.16664 222.3
[M+Na]+ 550.14858 228.3
[M-H]- 526.15208 233.2
[M+NH4]+ 545.19318 225.0
[M+K]+ 566.12252 221.1
[M+H-H2O]+ 510.15662 208.2
[M+HCOO]- 572.15756 241.0
[M+CH3COO]- 586.17321 228.8
[M+Na-2H]- 548.13403 226.6
[M]+ 527.15881 224.9
[M]- 527.15991 224.9
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.