CID 99085

33433-18-0

Structural Information

Molecular Formula
C40H55N3
SMILES
CCC(C)C(CCN(C)C)(CN=CC(CCN(C)C)(C1=CC2=CC=CC=C2C=C1)C(C)CC)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C40H55N3/c1-9-31(3)39(23-25-42(5)6,37-21-19-33-15-11-13-17-35(33)27-37)29-41-30-40(32(4)10-2,24-26-43(7)8)38-22-20-34-16-12-14-18-36(34)28-38/h11-22,27-29,31-32H,9-10,23-26,30H2,1-8H3
InChIKey
FACBNIVXFTWYBD-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentylidene]amino]methyl]-N,N,4-trimethyl-3-naphthalen-2-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.4396 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.44688 256.1
[M+Na]+ 600.42882 267.5
[M+NH4]+ 595.47342 262.9
[M+K]+ 616.40276 256.7
[M-H]- 576.43232 263.6
[M+Na-2H]- 598.41427 263.3
[M]+ 577.43905 260.2
[M]- 577.44015 260.2
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.