CID 2929763

510762-89-7

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₄

SMILES

CCOCCCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=CC=CC3=N2

InChI

InChI=1S/C18H20N4O4/c1-3-26-10-6-9-22-15(19)12(18(24)25-2)11-13-16(22)20-14-7-4-5-8-21(14)17(13)23/h4-5,7-8,11,19H,3,6,9-10H2,1-2H3

InChIKey

RULBWHQJVCKPCO-UHFFFAOYSA-N

Compound name

methyl 7-(3-ethoxypropyl)-6-imino-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: 356.14847 Da
Monoisotopic Mass: 0.7
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]+	357.155746	183.4
[M+Na]+	379.137688	194.1
[M-H]-	355.141194	185.6
[M+NH4]+	374.182293	194.3
[M+K]+	395.111628	189.0
[M+H-H2O]+	339.145730	173.1
[M+HCOO]-	401.146671	202.8
[M+CH3COO]-	415.162321	218.9
[M+Na-2H]-	377.123136	190.0
[M]+	356.14792142	190.7
[M]-	356.14901858	190.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.