CID 214486

Brn 3026565

Structural Information

Molecular Formula
C48H71N3
SMILES
CCC(C)C(CCN(C(C)C)C(C)C)(CN=CC(CCN(C(C)C)C(C)C)(C1=CC=CC2=CC=CC=C21)C(C)CC)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C48H71N3/c1-13-39(11)47(29-31-50(35(3)4)36(5)6,45-27-19-23-41-21-15-17-25-43(41)45)33-49-34-48(40(12)14-2,30-32-51(37(7)8)38(9)10)46-28-20-24-42-22-16-18-26-44(42)46/h15-28,33,35-40H,13-14,29-32,34H2,1-12H3
InChIKey
FVGHVLRBJOELIF-UHFFFAOYSA-N
Compound name
3-[[[2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-4-methyl-3-naphthalen-1-yl-N,N-di(propan-2-yl)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.5648 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.57208 283.5
[M+Na]+ 712.55402 291.6
[M+NH4]+ 707.59862 288.4
[M+K]+ 728.52796 282.7
[M-H]- 688.55752 289.8
[M+Na-2H]- 710.53947 287.8
[M]+ 689.56425 286.7
[M]- 689.56535 286.7
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.