CID 214485

Brn 3026282

Structural Information

Molecular Formula
C46H67N3
SMILES
CC(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)C)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C46H67N3/c1-33(2)45(27-29-48(35(5)6)36(7)8,43-25-17-21-39-19-13-15-23-41(39)43)31-47-32-46(34(3)4,28-30-49(37(9)10)38(11)12)44-26-18-22-40-20-14-16-24-42(40)44/h13-26,31,33-38H,27-30,32H2,1-12H3
InChIKey
YUARCUBTJQFZEZ-UHFFFAOYSA-N
Compound name
3-[[[2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutylidene]amino]methyl]-4-methyl-3-naphthalen-1-yl-N,N-di(propan-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.5335 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.54078 275.5
[M+Na]+ 684.52272 269.8
[M-H]- 660.52622 282.6
[M+NH4]+ 679.56732 277.0
[M+K]+ 700.49666 266.7
[M+H-H2O]+ 644.53076 263.0
[M+HCOO]- 706.53170 285.2
[M+CH3COO]- 720.54735 298.1
[M+Na-2H]- 682.50817 268.6
[M]+ 661.53295 280.9
[M]- 661.53405 280.9
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.