CID 6410621

Cm 30490

Structural Information

Molecular Formula

C₁₇H₂₂N₄O₂

SMILES

CC1=CC(=NN=C1NCC[N+]2(CCOCC2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21(22)9-11-23-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)

InChIKey

VVOSLVILPVVRLB-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-6-phenylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 314.1743 Da
Monoisotopic Mass: 1.5
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]+	315.181576	172.8
[M+Na]+	337.163518	176.9
[M-H]-	313.167024	176.8
[M+NH4]+	332.208123	181.8
[M+K]+	353.137458	168.1
[M+H-H2O]+	297.171560	165.8
[M+HCOO]-	359.172501	188.4
[M+CH3COO]-	373.188151	197.2
[M+Na-2H]-	335.148966	181.3
[M]+	314.17375142	166.8
[M]-	314.17484858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe