CID 44144761

1-(2-lactamidoethyl)-2-(heptadecenyl)-2-imidazoline, salt with

Structural Information

Molecular Formula
C25H47N3O2
SMILES
CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCNC(=O)C(C)O
InChI
InChI=1S/C25H47N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-26-19-21-28(24)22-20-27-25(30)23(2)29/h17-18,23,29H,3-16,19-22H2,1-2H3,(H,27,30)/b18-17+
InChIKey
ZGTCQZSYWZYDMY-ISLYRVAYSA-N
Compound name
N-[2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl]-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.36682 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.37410 215.7
[M+Na]+ 444.35604 214.7
[M-H]- 420.35954 212.1
[M+NH4]+ 439.40064 223.9
[M+K]+ 460.32998 209.1
[M+H-H2O]+ 404.36408 205.5
[M+HCOO]- 466.36502 229.9
[M+CH3COO]- 480.38067 230.8
[M+Na-2H]- 442.34149 209.2
[M]+ 421.36627 219.4
[M]- 421.36737 219.4
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

patents stripe