CID 208006

31385-04-3

Structural Information

Molecular Formula
C38H51N3
SMILES
CC(C)C(CCN(C)C)(CN=CC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C38H51N3/c1-29(2)37(23-25-40(5)6,35-21-13-17-31-15-9-11-19-33(31)35)27-39-28-38(30(3)4,24-26-41(7)8)36-22-14-18-32-16-10-12-20-34(32)36/h9-22,27,29-30H,23-26,28H2,1-8H3
InChIKey
OCJMQMOHLHOJII-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutylidene]amino]methyl]-N,N,4-trimethyl-3-naphthalen-1-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.4083 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.41558 247.3
[M+Na]+ 572.39752 259.2
[M+NH4]+ 567.44212 254.5
[M+K]+ 588.37146 248.9
[M-H]- 548.40102 255.0
[M+Na-2H]- 570.38297 255.1
[M]+ 549.40775 251.6
[M]- 549.40885 251.6
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.