CID 476505

Pa-1139

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CCCCCCCCC(=O)N[C@H]1CN2C=C(N=C2OC1)[N+](=O)[O-]
InChI
InChI=1S/C15H24N4O4/c1-2-3-4-5-6-7-8-14(20)16-12-9-18-10-13(19(21)22)17-15(18)23-11-12/h10,12H,2-9,11H2,1H3,(H,16,20)/t12-/m0/s1
InChIKey
CGJLQQNHTNBJQG-LBPRGKRZSA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 177.3
[M+Na]+ 347.16897 180.4
[M-H]- 323.17247 178.6
[M+NH4]+ 342.21357 188.8
[M+K]+ 363.14291 174.7
[M+H-H2O]+ 307.17701 173.1
[M+HCOO]- 369.17795 195.6
[M+CH3COO]- 383.19360 204.8
[M+Na-2H]- 345.15442 181.8
[M]+ 324.17920 177.4
[M]- 324.18030 177.4
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

No patent data available for this compound.