CID 768768

371131-61-2

Structural Information

Molecular Formula

C₁₆H₁₅N₅O₂

SMILES

CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C

InChI

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

InChIKey

GKUNJLOFVRUWLH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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	171.5
[M+Na]+	332.111818	183.2
[M-H]-	308.115324	174.2
[M+NH4]+	327.156423	184.2
[M+K]+	348.085758	176.5
[M+H-H2O]+	292.119860	162.0
[M+HCOO]-	354.120801	192.7
[M+CH3COO]-	368.136451	213.1
[M+Na-2H]-	330.097266	179.7
[M]+	309.12205142	174.2
[M]-	309.12314858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.