CID 214507

Brn 3025574

Structural Information

Molecular Formula
C42H59N3
SMILES
CCC(C)C(CCN(C)CC)(CN=CC(CCN(C)CC)(C1=CC=CC2=CC=CC=C21)C(C)CC)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C42H59N3/c1-9-33(5)41(27-29-44(7)11-3,39-25-17-21-35-19-13-15-23-37(35)39)31-43-32-42(34(6)10-2,28-30-45(8)12-4)40-26-18-22-36-20-14-16-24-38(36)40/h13-26,31,33-34H,9-12,27-30,32H2,1-8H3
InChIKey
YVYRYXZCXMLUID-UHFFFAOYSA-N
Compound name
N-ethyl-3-[[[2-[2-[ethyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-N,4-dimethyl-3-naphthalen-1-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.4709 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.47818 264.7
[M+Na]+ 628.46012 262.0
[M-H]- 604.46362 272.5
[M+NH4]+ 623.50472 268.9
[M+K]+ 644.43406 256.6
[M+H-H2O]+ 588.46816 251.2
[M+HCOO]- 650.46910 279.6
[M+CH3COO]- 664.48475 284.8
[M+Na-2H]- 626.44557 263.3
[M]+ 605.47035 270.9
[M]- 605.47145 270.9
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.