CID 3066804

111253-94-2

Structural Information

Molecular Formula
C30H48N2O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)C(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C30H48N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-29(24-28)34-27(4)30(33)31-32-25(2)22-23-26(32)3/h18,20-24,27H,5-17,19H2,1-4H3,(H,31,33)
InChIKey
QCKOXHWVJHMSBR-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(3-pentadecylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.37158 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.37886 227.6
[M+Na]+ 491.36080 236.0
[M+NH4]+ 486.40540 232.0
[M+K]+ 507.33474 228.7
[M-H]- 467.36430 229.9
[M+Na-2H]- 489.34625 229.9
[M]+ 468.37103 229.2
[M]- 468.37213 229.2
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.