CID 9571210

Nsc323241

Structural Information

Molecular Formula

C₁₆H₂₁N₄Se

SMILES

C/C(=N\N=C(\N1CC2CCC(C1)CC2)/[Se])/C3=CC=CC=N3

InChI

InChI=1S/C16H21N4Se/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3/b18-12+,19-16-

InChIKey

QZCGQJFNGZOSQK-UHIRCJBMSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 349.09314 Da
Monoisotopic Mass: None
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]+	350.10042	181.3
[M+Na]+	372.08236	187.3
[M-H]-	348.08586	184.3
[M+NH4]+	367.12696	197.5
[M+K]+	388.05630	184.5
[M+H-H2O]+	332.09040	177.0
[M+HCOO]-	394.09134	192.8
[M+CH3COO]-	408.10699	188.8
[M+Na-2H]-	370.06781	188.8
[M]+	349.09259	179.4
[M]-	349.09369	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe