CID 3053839

70474-14-5

Structural Information

Molecular Formula

C₁₉H₂₃N₃

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=N)C2

InChI

InChI=1S/C19H23N3/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(16(20)12-19)17(14)18(19)21/h3-4,6-7,18,20H,2,5,8-12H2,1H3/t18-,19+/m1/s1

InChIKey

UODHWMIIDJUZIN-MOPGFXCFSA-N

Compound name

(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 293.1892 Da
Monoisotopic Mass: 3.1
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]+	294.196476	168.3
[M+Na]+	316.178418	175.4
[M-H]-	292.181924	170.3
[M+NH4]+	311.223023	188.8
[M+K]+	332.152358	168.2
[M+H-H2O]+	276.186460	158.3
[M+HCOO]-	338.187401	180.4
[M+CH3COO]-	352.203051	177.8
[M+Na-2H]-	314.163866	173.9
[M]+	293.18865142	165.0
[M]-	293.18974858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe