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]+ 408.18056 198.1
[M+Na]+ 430.16250 203.1
[M-H]- 406.16600 202.7
[M+NH4]+ 425.20710 210.0
[M+K]+ 446.13644 200.2
[M+H-H2O]+ 390.17054 189.6
[M+HCOO]- 452.17148 216.2
[M+CH3COO]- 466.18713 227.4
[M+Na-2H]- 428.14795 202.4
[M]+ 407.17273 204.4
[M]- 407.17383 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.