CID 467897

Tcmdc-137946

Structural Information

Molecular Formula

C₁₅H₁₉N₅

SMILES

CCCC1=CC2=C(N1CC)C=CC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19)

InChIKey

KILCZWIPJDHLKS-UHFFFAOYSA-N

Compound name

7-ethyl-8-propylpyrrolo[3,2-f]quinazoline-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 269.16403 Da
Monoisotopic Mass: 2.4
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]+	270.171306	165.0
[M+Na]+	292.153248	176.7
[M-H]-	268.156754	167.0
[M+NH4]+	287.197853	181.5
[M+K]+	308.127188	170.4
[M+H-H2O]+	252.161290	156.6
[M+HCOO]-	314.162231	186.3
[M+CH3COO]-	328.177881	176.8
[M+Na-2H]-	290.138696	169.9
[M]+	269.16348142	167.2
[M]-	269.16457858	167.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.