CID 14734

1251-31-6

Structural Information

Molecular Formula
C24H31N3O2
SMILES
C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H31N3O2/c25-20-24(8-10-26-12-16-28-17-13-26,9-11-27-14-18-29-19-15-27)23-7-3-5-21-4-1-2-6-22(21)23/h1-7H,8-19H2
InChIKey
LXZKOQFDJOEMNI-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.24164 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 192.3
[M+Na]+ 416.23086 195.8
[M-H]- 392.23436 195.3
[M+NH4]+ 411.27546 196.4
[M+K]+ 432.20480 189.0
[M+H-H2O]+ 376.23890 173.8
[M+HCOO]- 438.23984 197.3
[M+CH3COO]- 452.25549 196.8
[M+Na-2H]- 414.21631 195.0
[M]+ 393.24109 181.8
[M]- 393.24219 181.8
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.