CID 105802

67846-44-0

Structural Information

Molecular Formula
C28H42N4O3
SMILES
CCCCCCCC(=O)NC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)NC(=O)N)OC
InChI
InChI=1S/C28H42N4O3/c1-6-9-10-11-12-13-26(33)30-24-17-14-21(19-25(24)35-5)27(31-28(29)34)23-16-15-22(18-20(23)4)32(7-2)8-3/h14-19,27H,6-13H2,1-5H3,(H,30,33)(H3,29,31,34)
InChIKey
HEJFNWZYRUFCJN-UHFFFAOYSA-N
Compound name
N-[4-[(carbamoylamino)-[4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.32568 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.33296 226.8
[M+Na]+ 505.31490 233.5
[M+NH4]+ 500.35950 230.2
[M+K]+ 521.28884 227.4
[M-H]- 481.31840 230.9
[M+Na-2H]- 503.30035 229.6
[M]+ 482.32513 228.4
[M]- 482.32623 228.4
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.