CID 3151391

497078-69-0

Structural Information

Molecular Formula

C₁₆H₁₅N₅O₂

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C#N

InChI

InChI=1S/C16H15N5O2/c1-10-4-3-5-21-14(10)19-15-12(16(21)22)8-11(9-17)13(18)20(15)6-7-23-2/h3-5,8,18H,6-7H2,1-2H3

InChIKey

SGEIVANOXRGJIE-UHFFFAOYSA-N

Compound name

6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 309.1226 Da
Monoisotopic Mass: 0.2
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]+	310.129876	173.6
[M+Na]+	332.111818	187.3
[M-H]-	308.115324	174.3
[M+NH4]+	327.156423	184.9
[M+K]+	348.085758	179.8
[M+H-H2O]+	292.119860	157.5
[M+HCOO]-	354.120801	190.1
[M+CH3COO]-	368.136451	183.1
[M+Na-2H]-	330.097266	179.8
[M]+	309.12205142	172.8
[M]-	309.12314858	172.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.