CID 99075

31429-04-6

Structural Information

Molecular Formula
C40H55N3
SMILES
CC(C)CC(CCN(C)C)(CN=CC(CCN(C)C)(CC(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C40H55N3/c1-31(2)27-39(23-25-42(5)6,37-21-13-17-33-15-9-11-19-35(33)37)29-41-30-40(28-32(3)4,24-26-43(7)8)38-22-14-18-34-16-10-12-20-36(34)38/h9-22,29,31-32H,23-28,30H2,1-8H3
InChIKey
CKAFUQZOQFUECR-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(dimethylamino)ethyl]-4-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N,5-trimethyl-3-naphthalen-1-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.4396 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.44688 255.9
[M+Na]+ 600.42882 254.2
[M-H]- 576.43232 264.3
[M+NH4]+ 595.47342 261.4
[M+K]+ 616.40276 249.2
[M+H-H2O]+ 560.43686 242.9
[M+HCOO]- 622.43780 271.6
[M+CH3COO]- 636.45345 279.3
[M+Na-2H]- 598.41427 255.6
[M]+ 577.43905 261.6
[M]- 577.44015 261.6
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.