CID 13473058

Sr 95294 a

Structural Information

Molecular Formula

C₂₁H₂₁N₅O

SMILES

C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O/c22-15-17-14-20(19-7-3-5-16-4-1-2-6-18(16)19)24-25-21(17)23-8-9-26-10-12-27-13-11-26/h1-7,14H,8-13H2,(H,23,25)

InChIKey

SASVUPJYIQQECU-UHFFFAOYSA-N

Compound name

3-(2-morpholin-4-ylethylamino)-6-naphthalen-1-ylpyridazine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 359.17462 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]+	360.181896	184.3
[M+Na]+	382.163838	191.6
[M-H]-	358.167344	186.9
[M+NH4]+	377.208443	189.7
[M+K]+	398.137778	183.1
[M+H-H2O]+	342.171880	164.9
[M+HCOO]-	404.172821	195.4
[M+CH3COO]-	418.188471	190.3
[M+Na-2H]-	380.149286	188.9
[M]+	359.17407142	175.7
[M]-	359.17516858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.