CID 3077999

Brn 4898970

Structural Information

Molecular Formula
C38H27ClN6O4
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(N(C6=CC=CC=C65)CNC7=CC=C(C=C7)Cl)O
InChI
InChI=1S/C38H27ClN6O4/c39-27-14-16-28(17-15-27)41-23-45-32-11-5-4-10-30(32)35(38(45)48)44-43-33(46)22-49-29-18-12-25(13-19-29)36(47)31-21-26-9-6-20-40-37(26)42-34(31)24-7-2-1-3-8-24/h1-21,41,48H,22-23H2
InChIKey
YFWIEIXLNRAHGS-UHFFFAOYSA-N
Compound name
N-[1-[(4-chloroanilino)methyl]-2-hydroxyindol-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

666.1782 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.18548 252.2
[M+Na]+ 689.16742 257.4
[M-H]- 665.17092 266.2
[M+NH4]+ 684.21202 250.2
[M+K]+ 705.14136 250.0
[M+H-H2O]+ 649.17546 235.9
[M+HCOO]- 711.17640 266.8
[M+CH3COO]- 725.19205 256.5
[M+Na-2H]- 687.15287 255.0
[M]+ 666.17765 258.6
[M]- 666.17875 258.6
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.