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 227.8
[M+Na]+ 491.36080 228.6
[M-H]- 467.36430 230.9
[M+NH4]+ 486.40540 236.2
[M+K]+ 507.33474 222.6
[M+H-H2O]+ 451.36884 217.1
[M+HCOO]- 513.36978 245.7
[M+CH3COO]- 527.38543 244.3
[M+Na-2H]- 489.34625 220.8
[M]+ 468.37103 234.9
[M]- 468.37213 234.9
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.