CID 505609

Tert-butyl 4-[3-(morpholine-4-carbonyl)-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C30H32N2O6
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=CC(=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C30H32N2O6/c1-30(2,3)38-29(36)26(33)19-27(34)32(20-21-11-12-22-7-4-5-8-23(22)17-21)25-10-6-9-24(18-25)28(35)31-13-15-37-16-14-31/h4-12,17-18H,13-16,19-20H2,1-3H3
InChIKey
IQJMDXMNNJCPDN-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(morpholine-4-carbonyl)-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.226 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23328 223.0
[M+Na]+ 539.21522 222.4
[M-H]- 515.21872 231.6
[M+NH4]+ 534.25982 225.5
[M+K]+ 555.18916 222.0
[M+H-H2O]+ 499.22326 211.2
[M+HCOO]- 561.22420 233.8
[M+CH3COO]- 575.23985 248.6
[M+Na-2H]- 537.20067 222.0
[M]+ 516.22545 223.8
[M]- 516.22655 223.8
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.