CID 660154

370573-01-6

Structural Information

Molecular Formula

C₂₁H₁₉N₅O₃

SMILES

CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-3-29-21(28)15-10-16-19(24-18-13(2)6-5-9-25(18)20(16)27)26(17(15)22)12-14-7-4-8-23-11-14/h4-11,22H,3,12H2,1-2H3

InChIKey

OSKUGSYJEMOGLK-UHFFFAOYSA-N

Compound name

ethyl 6-imino-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-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: 389.1488 Da
Monoisotopic Mass: 1.3
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]+	390.156076	196.1
[M+Na]+	412.138018	207.6
[M-H]-	388.141524	200.4
[M+NH4]+	407.182623	203.8
[M+K]+	428.111958	200.1
[M+H-H2O]+	372.146060	183.8
[M+HCOO]-	434.147001	213.8
[M+CH3COO]-	448.162651	205.3
[M+Na-2H]-	410.123466	202.5
[M]+	389.14825142	201.0
[M]-	389.14934858	201.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.