CID 21972350

4712-70-3

Structural Information

Molecular Formula

C₁₇H₁₉N₃O

SMILES

CCN(CC)C1=CC2=C(C=C1C)N=C3C=CC(=N)C=C3O2

InChI

InChI=1S/C17H19N3O/c1-4-20(5-2)15-10-17-14(8-11(15)3)19-13-7-6-12(18)9-16(13)21-17/h6-10,18H,4-5H2,1-3H3

InChIKey

WBARPMJDSAXUDE-UHFFFAOYSA-N

Compound name

N,N-diethyl-7-imino-2-methylphenoxazin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 131
References: 157
Patents: 281.1528 Da
Monoisotopic Mass: 2.8
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]+	282.160076	166.6
[M+Na]+	304.142018	175.8
[M-H]-	280.145524	173.1
[M+NH4]+	299.186623	182.6
[M+K]+	320.115958	172.6
[M+H-H2O]+	264.150060	157.8
[M+HCOO]-	326.151001	188.6
[M+CH3COO]-	340.166651	178.8
[M+Na-2H]-	302.127466	174.6
[M]+	281.15225142	170.0
[M]-	281.15334858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe