CID 457257

N-palmitoyl-pyrazinamide, liposomal

Structural Information

Molecular Formula
C21H35N3O2
SMILES
CCCCCCCCCCCCCCCC(=O)NC(=O)C1=NC=CN=C1
InChI
InChI=1S/C21H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)24-21(26)19-18-22-16-17-23-19/h16-18H,2-15H2,1H3,(H,24,25,26)
InChIKey
QHWWABJKEDEMKC-UHFFFAOYSA-N
Compound name
N-hexadecanoylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

361.27292 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.28020 195.3
[M+Na]+ 384.26214 196.7
[M-H]- 360.26564 193.7
[M+NH4]+ 379.30674 204.6
[M+K]+ 400.23608 192.3
[M+H-H2O]+ 344.27018 184.8
[M+HCOO]- 406.27112 213.1
[M+CH3COO]- 420.28677 220.0
[M+Na-2H]- 382.24759 195.3
[M]+ 361.27237 199.8
[M]- 361.27347 199.8
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