CID 214493

Brn 1201576

Structural Information

Molecular Formula
C42H55N3O2
SMILES
CC(C)C(CCN1CCOCC1)(CN=CC(CCN2CCOCC2)(C3=CC=CC4=CC=CC=C43)C(C)C)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C42H55N3O2/c1-33(2)41(19-21-44-23-27-46-28-24-44,39-17-9-13-35-11-5-7-15-37(35)39)31-43-32-42(34(3)4,20-22-45-25-29-47-30-26-45)40-18-10-14-36-12-6-8-16-38(36)40/h5-18,31,33-34H,19-30,32H2,1-4H3
InChIKey
VRCFTIHIVMKJSW-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutyl]-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.42944 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.43672 263.6
[M+Na]+ 656.41866 276.3
[M+NH4]+ 651.46326 269.4
[M+K]+ 672.39260 266.2
[M-H]- 632.42216 274.2
[M+Na-2H]- 654.40411 270.2
[M]+ 633.42889 268.7
[M]- 633.42999 268.7
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.