CID 476516

Pa-1324

Structural Information

Molecular Formula
C13H11BrN4O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OC(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C13H11BrN4O5/c14-8-1-3-9(4-2-8)15-13(19)23-10-5-17-6-11(18(20)21)16-12(17)22-7-10/h1-4,6,10H,5,7H2,(H,15,19)/t10-/m0/s1
InChIKey
OETDKIQCARCPKM-JTQLQIEISA-N
Compound name
[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.99127 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.99855 175.1
[M+Na]+ 404.98049 183.0
[M-H]- 380.98399 183.1
[M+NH4]+ 400.02509 187.8
[M+K]+ 420.95443 170.0
[M+H-H2O]+ 364.98853 176.2
[M+HCOO]- 426.98947 193.1
[M+CH3COO]- 441.00512 206.4
[M+Na-2H]- 402.96594 183.0
[M]+ 381.99072 192.9
[M]- 381.99182 192.9
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.