CID 114333

Usaf xr-9

Structural Information

Molecular Formula

C₁₉H₂₄N₂S

SMILES

CCN(CC)C(C)(C)N1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C19H24N2S/c1-5-20(6-2)19(3,4)21-15-11-7-9-13-17(15)22-18-14-10-8-12-16(18)21/h7-14H,5-6H2,1-4H3

InChIKey

JTJURXUHFKXPOT-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-phenothiazin-10-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 312.16602 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]+	313.173296	173.8
[M+Na]+	335.155238	180.3
[M-H]-	311.158744	178.2
[M+NH4]+	330.199843	190.3
[M+K]+	351.129178	175.7
[M+H-H2O]+	295.163280	165.8
[M+HCOO]-	357.164221	186.7
[M+CH3COO]-	371.179871	213.9
[M+Na-2H]-	333.140686	178.8
[M]+	312.16547142	176.9
[M]-	312.16656858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe