CID 380794

Nsc666514

Structural Information

Molecular Formula
C24H25NO5
SMILES
CCOC(=O)C(CC1=C2C=CC=CC2=CC3=CC=CC=C31)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C24H25NO5/c1-4-29-22(27)24(25-16(3)26,23(28)30-5-2)15-21-19-12-8-6-10-17(19)14-18-11-7-9-13-20(18)21/h6-14H,4-5,15H2,1-3H3,(H,25,26)
InChIKey
YNHFVRRXXNLNJF-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-(anthracen-9-ylmethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.180556 198.1
[M+Na]+ 430.162498 203.1
[M-H]- 406.166004 202.7
[M+NH4]+ 425.207103 210.0
[M+K]+ 446.136438 200.2
[M+H-H2O]+ 390.170540 189.6
[M+HCOO]- 452.171481 216.2
[M+CH3COO]- 466.187131 227.4
[M+Na-2H]- 428.147946 202.4
[M]+ 407.17273142 204.4
[M]- 407.17382858 204.4
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.