CID 14677

Methdilazine

Structural Information

Molecular Formula

C₁₈H₂₀N₂S

SMILES

CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3

InChIKey

HTMIBDQKFHUPSX-UHFFFAOYSA-N

Compound name

10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 34
References: 8772
Patents: 296.1347 Da
Monoisotopic Mass: 5.2
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]+	297.14198	168.1
[M+Na]+	319.12392	176.3
[M-H]-	295.12742	173.5
[M+NH4]+	314.16852	185.4
[M+K]+	335.09786	170.1
[M+H-H2O]+	279.13196	160.0
[M+HCOO]-	341.13290	180.0
[M+CH3COO]-	355.14855	178.7
[M+Na-2H]-	317.10937	169.3
[M]+	296.13415	167.5
[M]-	296.13525	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe