CID 505578

Tert-butyl 4-[3,4-dichloro-n-[(7-methoxy-2-naphthyl)methyl]anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C26H25Cl2NO5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)OC)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H25Cl2NO5/c1-26(2,3)34-25(32)23(30)14-24(31)29(19-8-10-21(27)22(28)13-19)15-16-5-6-17-7-9-20(33-4)12-18(17)11-16/h5-13H,14-15H2,1-4H3
InChIKey
ZYHBURSIJSBHDQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3,4-dichloro-N-[(7-methoxynaphthalen-2-yl)methyl]anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.111 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11828 214.2
[M+Na]+ 524.10022 220.8
[M-H]- 500.10372 222.3
[M+NH4]+ 519.14482 223.8
[M+K]+ 540.07416 216.8
[M+H-H2O]+ 484.10826 206.8
[M+HCOO]- 546.10920 223.4
[M+CH3COO]- 560.12485 244.2
[M+Na-2H]- 522.08567 213.3
[M]+ 501.11045 225.0
[M]- 501.11155 225.0
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.