CID 491526

N-[(4-chlorophenyl)methyl]-(morpholinomethyl)-oxo-dispiro[[?]]carboxamide

Structural Information

Molecular Formula
C31H34ClN3O6
SMILES
C1CC2(CCC13CN4C=C(C(=O)C5=C4C(=CC(=C5)CN6CCOCC6)O3)C(=O)NCC7=CC=C(C=C7)Cl)OCCO2
InChI
InChI=1S/C31H34ClN3O6/c32-23-3-1-21(2-4-23)17-33-29(37)25-19-35-20-30(5-7-31(8-6-30)39-13-14-40-31)41-26-16-22(15-24(27(26)35)28(25)36)18-34-9-11-38-12-10-34/h1-4,15-16,19H,5-14,17-18,20H2,(H,33,37)
InChIKey
MXTHUDRAPLYMMN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

579.2136 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.22088 233.8
[M+Na]+ 602.20282 236.9
[M-H]- 578.20632 245.1
[M+NH4]+ 597.24742 236.3
[M+K]+ 618.17676 235.9
[M+H-H2O]+ 562.21086 219.6
[M+HCOO]- 624.21180 231.7
[M+CH3COO]- 638.22745 237.6
[M+Na-2H]- 600.18827 232.1
[M]+ 579.21305 232.1
[M]- 579.21415 232.1
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

patents stripe