CID 145453486

Chebi:187634

Structural Information

Molecular Formula
C29H55N3O3
SMILES
CC(C)CCCCCCC/C=C/CCCCC(=O)N(CCCCNC(=O)C)CCCCNC(=O)C
InChI
InChI=1S/C29H55N3O3/c1-26(2)20-14-12-10-8-6-5-7-9-11-13-15-21-29(35)32(24-18-16-22-30-27(3)33)25-19-17-23-31-28(4)34/h7,9,26H,5-6,8,10-25H2,1-4H3,(H,30,33)(H,31,34)/b9-7+
InChIKey
JUKQCFLROLXSKB-VQHVLOKHSA-N
Compound name
(E)-N,N-bis(4-acetamidobutyl)-15-methylhexadec-6-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.42435 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.43163 247.6
[M+Na]+ 516.41357 261.3
[M-H]- 492.41707 246.8
[M+NH4]+ 511.45817 253.6
[M+K]+ 532.38751 257.3
[M+H-H2O]+ 476.42161 248.4
[M+HCOO]- 538.42255 246.0
[M+CH3COO]- 552.43820 256.7
[M+Na-2H]- 514.39902 236.5
[M]+ 493.42380 242.0
[M]- 493.42490 242.0
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.