CID 476510

187235-41-2

Structural Information

Molecular Formula
C21H29N3O4
SMILES
CCCCCCCCC1=CC=C(C=C1)CO[C@H]2CN3C=C(N=C3OC2)[N+](=O)[O-]
InChI
InChI=1S/C21H29N3O4/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)15-27-19-13-23-14-20(24(25)26)22-21(23)28-16-19/h9-12,14,19H,2-8,13,15-16H2,1H3/t19-/m0/s1
InChIKey
FRRYUXDOANSGES-IBGZPJMESA-N
Compound name
(6S)-2-nitro-6-[(4-octylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

387.21582 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22310 196.9
[M+Na]+ 410.20504 200.0
[M-H]- 386.20854 201.2
[M+NH4]+ 405.24964 205.9
[M+K]+ 426.17898 192.5
[M+H-H2O]+ 370.21308 191.0
[M+HCOO]- 432.21402 214.1
[M+CH3COO]- 446.22967 215.7
[M+Na-2H]- 408.19049 200.0
[M]+ 387.21527 198.9
[M]- 387.21637 198.9
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

patents stripe