CID 214495

Brn 1202418

Structural Information

Molecular Formula
C44H59N3O2
SMILES
CCC(C)C(CCN1CCOCC1)(CN=CC(CCN2CCOCC2)(C3=CC=CC4=CC=CC=C43)C(C)CC)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3O2/c1-5-35(3)43(21-23-46-25-29-48-30-26-46,41-19-11-15-37-13-7-9-17-39(37)41)33-45-34-44(36(4)6-2,22-24-47-27-31-49-32-28-47)42-20-12-16-38-14-8-10-18-40(38)42/h7-20,33,35-36H,5-6,21-32,34H2,1-4H3
InChIKey
NFTFDLOKDUANMD-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentyl]-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.46075 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.468026 267.3
[M+Na]+ 684.449968 261.6
[M-H]- 660.453474 274.9
[M+NH4]+ 679.494573 261.2
[M+K]+ 700.423908 256.4
[M+H-H2O]+ 644.458010 250.2
[M+HCOO]- 706.458951 268.2
[M+CH3COO]- 720.474601 277.6
[M+Na-2H]- 682.435416 265.3
[M]+ 661.46020142 263.2
[M]- 661.46129858 263.2
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.