CID 170082

38615-38-2

Structural Information

Molecular Formula
C38H55N3O2
SMILES
CCCCCCCC(=O)NC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C)OC
InChI
InChI=1S/C38H55N3O2/c1-9-14-15-16-17-18-37(42)39-35-24-19-30(27-36(35)43-8)38(33-22-20-31(25-28(33)6)40(10-2)11-3)34-23-21-32(26-29(34)7)41(12-4)13-5/h19-27,38H,9-18H2,1-8H3,(H,39,42)
InChIKey
LJQRYPCDQQFASR-UHFFFAOYSA-N
Compound name
N-[4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

585.42944 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.43672 259.7
[M+Na]+ 608.41866 259.1
[M-H]- 584.42216 269.5
[M+NH4]+ 603.46326 263.1
[M+K]+ 624.39260 255.0
[M+H-H2O]+ 568.42670 246.3
[M+HCOO]- 630.42764 279.1
[M+CH3COO]- 644.44329 280.8
[M+Na-2H]- 606.40411 250.7
[M]+ 585.42889 267.5
[M]- 585.42999 267.5
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