CID 6433749

19947-07-0

Structural Information

Molecular Formula
C25H36N2
SMILES
CN(C)CCC/C(=C/CCN(C)C)/C1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C25H36N2/c1-26(2)20-10-15-23(16-11-21-27(3)4)25-17-9-8-14-24(25)19-18-22-12-6-5-7-13-22/h5-9,12-15,17H,10-11,16,18-21H2,1-4H3/b23-15-
InChIKey
FQUDQOSOVDBYEF-HAHDFKILSA-N
Compound name
(Z)-N,N,N',N'-tetramethyl-4-[2-(2-phenylethyl)phenyl]hept-3-ene-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.28784 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.295116 198.2
[M+Na]+ 387.277058 199.4
[M-H]- 363.280564 205.5
[M+NH4]+ 382.321663 210.8
[M+K]+ 403.250998 195.5
[M+H-H2O]+ 347.285100 187.8
[M+HCOO]- 409.286041 220.9
[M+CH3COO]- 423.301691 231.9
[M+Na-2H]- 385.262506 197.3
[M]+ 364.28729142 201.0
[M]- 364.28838858 201.0
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.