CID 78311

Einecs 224-915-1

Structural Information

Molecular Formula
C31H42N2O2
SMILES
CCN(CC)C1=CC(=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)C3=C(C=C(C=C3)N(CC)CC)C)C
InChI
InChI=1S/C31H42N2O2/c1-9-32(10-2)25-14-16-27(22(5)19-25)31(24-13-18-29(34-7)30(21-24)35-8)28-17-15-26(20-23(28)6)33(11-3)12-4/h13-21,31H,9-12H2,1-8H3
InChIKey
GMCQSPGEAQSJAJ-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-methylphenyl]-(3,4-dimethoxyphenyl)methyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

474.32462 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.33190 226.1
[M+Na]+ 497.31384 229.7
[M-H]- 473.31734 237.6
[M+NH4]+ 492.35844 234.8
[M+K]+ 513.28778 226.5
[M+H-H2O]+ 457.32188 214.1
[M+HCOO]- 519.32282 247.9
[M+CH3COO]- 533.33847 256.5
[M+Na-2H]- 495.29929 221.2
[M]+ 474.32407 233.7
[M]- 474.32517 233.7
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

patents stripe