CID 371435

Nsc645659

Structural Information

Molecular Formula
C29H25NO4
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC
InChI
InChI=1S/C29H25NO4/c1-18(19-8-4-3-5-9-19)30-29(32)23-11-7-6-10-22(23)28-24-14-12-20(31)16-26(24)34-27-17-21(33-2)13-15-25(27)28/h3-18,28,31H,1-2H3,(H,30,32)
InChIKey
WAWHGWCVKDJIIY-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-6-methoxy-9H-xanthen-9-yl)-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.17834 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18562 210.7
[M+Na]+ 474.16756 215.6
[M-H]- 450.17106 220.6
[M+NH4]+ 469.21216 218.0
[M+K]+ 490.14150 211.3
[M+H-H2O]+ 434.17560 199.1
[M+HCOO]- 496.17654 225.9
[M+CH3COO]- 510.19219 218.2
[M+Na-2H]- 472.15301 212.9
[M]+ 451.17779 211.4
[M]- 451.17889 211.4
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.