CID 461542

367274-46-2

Structural Information

Molecular Formula

C₂₀H₂₆N₄S

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)N

InChI

InChI=1S/C20H26N4S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14,21H2,1H3

InChIKey

VXBFLPZYWPBRFY-UHFFFAOYSA-N

Compound name

10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 354.1878 Da
Monoisotopic Mass: 3.9
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]+	355.19508	183.2
[M+Na]+	377.17702	189.1
[M-H]-	353.18052	185.4
[M+NH4]+	372.22162	194.0
[M+K]+	393.15096	181.4
[M+H-H2O]+	337.18506	172.8
[M+HCOO]-	399.18600	190.8
[M+CH3COO]-	413.20165	190.6
[M+Na-2H]-	375.16247	185.0
[M]+	354.18725	179.9
[M]-	354.18835	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe