CID 134700

Punky blue

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCN=C1C=C2C(=NC3=C(O2)C=C(C=C3)N)C=C1C

InChI

InChI=1S/C15H15N3O/c1-3-17-12-8-15-13(6-9(12)2)18-11-5-4-10(16)7-14(11)19-15/h4-8H,3,16H2,1-2H3

InChIKey

QVCZODSSCZARDB-UHFFFAOYSA-N

Compound name

7-ethylimino-8-methylphenoxazin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 5
Patents: 253.1215 Da
Monoisotopic Mass: 1.7
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]+	254.12878	157.5
[M+Na]+	276.11072	168.2
[M-H]-	252.11422	163.9
[M+NH4]+	271.15532	174.6
[M+K]+	292.08466	164.5
[M+H-H2O]+	236.11876	149.1
[M+HCOO]-	298.11970	180.7
[M+CH3COO]-	312.13535	170.6
[M+Na-2H]-	274.09617	166.8
[M]+	253.12095	159.9
[M]-	253.12205	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe