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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.128126	161.0
[M+Na]+	294.110068	169.5
[M-H]-	270.113574	164.8
[M+NH4]+	289.154673	182.0
[M+K]+	310.084008	164.7
[M+H-H2O]+	254.118110	153.8
[M+HCOO]-	316.119051	176.1
[M+CH3COO]-	330.134701	172.4
[M+Na-2H]-	292.095516	165.3
[M]+	271.12030142	159.9
[M]-	271.12139858	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.