CID 3033979

Impacarzine

Structural Information

Molecular Formula
C28H55N5O2
SMILES
CCCCCCCCCCCCCCN1CCN(C1=O)CCN2CCN(CC2)C(=O)N(CC)CC
InChI
InChI=1S/C28H55N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-25-26-33(28(31)35)24-21-29-19-22-32(23-20-29)27(34)30(5-2)6-3/h4-26H2,1-3H3
InChIKey
OQXWEZVLEIJVSI-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

493.43558 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.44286 233.2
[M+Na]+ 516.42480 230.7
[M-H]- 492.42830 232.0
[M+NH4]+ 511.46940 236.9
[M+K]+ 532.39874 226.1
[M+H-H2O]+ 476.43284 220.3
[M+HCOO]- 538.43378 242.4
[M+CH3COO]- 552.44943 249.2
[M+Na-2H]- 514.41025 223.4
[M]+ 493.43503 235.2
[M]- 493.43613 235.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe