CID 3703413

618074-92-3

Structural Information

Molecular Formula

C₁₇H₁₈N₄O₄

SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-10-5-4-6-21-14(10)19-15-12(16(21)22)9-11(17(23)25-3)13(18)20(15)7-8-24-2/h4-6,9,18H,7-8H2,1-3H3

InChIKey

SYXJDSBSZUVCGM-UHFFFAOYSA-N

Compound name

methyl 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-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.1328 Da
Monoisotopic Mass: 0.3
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]+	343.140076	179.6
[M+Na]+	365.122018	191.7
[M-H]-	341.125524	182.4
[M+NH4]+	360.166623	191.4
[M+K]+	381.095958	186.9
[M+H-H2O]+	325.130060	169.8
[M+HCOO]-	387.131001	199.3
[M+CH3COO]-	401.146651	217.3
[M+Na-2H]-	363.107466	185.9
[M]+	342.13225142	187.1
[M]-	342.13334858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.