CID 382422

Nsc669985

Structural Information

Molecular Formula
C28H28N2O4
SMILES
C1COCCN1C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCOCC6)O
InChI
InChI=1S/C28H28N2O4/c31-27-21-7-3-1-5-19(21)23(17-25(27)29-9-13-33-14-10-29)24-18-26(30-11-15-34-16-12-30)28(32)22-8-4-2-6-20(22)24/h1-8,17-18,31-32H,9-16H2
InChIKey
HSMSIXLBEUEYGC-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-morpholin-4-ylnaphthalen-1-yl)-2-morpholin-4-ylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2049 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21218 212.1
[M+Na]+ 479.19412 216.6
[M-H]- 455.19762 220.9
[M+NH4]+ 474.23872 214.3
[M+K]+ 495.16806 211.5
[M+H-H2O]+ 439.20216 197.9
[M+HCOO]- 501.20310 218.7
[M+CH3COO]- 515.21875 217.5
[M+Na-2H]- 477.17957 213.3
[M]+ 456.20435 206.8
[M]- 456.20545 206.8
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.