CID 145715019

Cer(t18:0/15:0)

Structural Information

Molecular Formula
C33H67NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C33H67NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(36)33(38)30(29-35)34-32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33,35-36,38H,3-29H2,1-2H3,(H,34,37)/t30-,31+,33-/m0/s1
InChIKey
QQJRGGSYIJDMQP-PZWMIYICSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.507 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.51428 252.3
[M+Na]+ 564.49622 256.5
[M-H]- 540.49972 240.6
[M+NH4]+ 559.54082 249.1
[M+K]+ 580.47016 257.1
[M+H-H2O]+ 524.50426 249.4
[M+HCOO]- 586.50520 246.2
[M+CH3COO]- 600.52085 253.5
[M+Na-2H]- 562.48167 235.1
[M]+ 541.50645 246.7
[M]- 541.50755 246.7
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.