CID 11184826

(4as,10br)-noroxomaritidine

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=C(C=C2CN3CC[C@]4([C@@H]3CC(=O)C=C4)C2=C1)O
InChI
InChI=1S/C16H17NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,15,19H,4-5,7,9H2,1H3/t15-,16-/m0/s1
InChIKey
VEXDOCFQMVMPHJ-HOTGVXAUSA-N
Compound name
(1R,10S)-5-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

271.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.0
[M+Na]+ 294.11007 169.5
[M-H]- 270.11357 164.8
[M+NH4]+ 289.15467 182.0
[M+K]+ 310.08401 164.7
[M+H-H2O]+ 254.11811 153.8
[M+HCOO]- 316.11905 176.1
[M+CH3COO]- 330.13470 172.4
[M+Na-2H]- 292.09552 165.3
[M]+ 271.12030 159.9
[M]- 271.12140 159.9
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

No patent data available for this compound.