CID 16760714

Znaf-2 da

Structural Information

Molecular Formula
C38H32N4O7
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)NCCN(CC6=CC=CC=N6)CC7=CC=CC=N7)C(=O)O3
InChI
InChI=1S/C38H32N4O7/c1-24(43)46-29-10-13-32-35(20-29)48-36-21-30(47-25(2)44)11-14-33(36)38(32)34-19-26(9-12-31(34)37(45)49-38)41-17-18-42(22-27-7-3-5-15-39-27)23-28-8-4-6-16-40-28/h3-16,19-21,41H,17-18,22-23H2,1-2H3
InChIKey
QRHJESKPYRPLIW-UHFFFAOYSA-N
Compound name
[6'-acetyloxy-6-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

656.2271 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.23438 257.4
[M+Na]+ 679.21632 271.8
[M+NH4]+ 674.26092 263.0
[M+K]+ 695.19026 263.9
[M-H]- 655.21982 267.5
[M+Na-2H]- 677.20177 263.7
[M]+ 656.22655 262.5
[M]- 656.22765 262.5
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

patents stripe