CID 9576789

Sardomozide

Structural Information

Molecular Formula

C₁₁H₁₄N₆

SMILES

C1C/C(=N\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N

InChI

InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+

InChIKey

CYPGNVSXMAUSJY-CXUHLZMHSA-N

Compound name

(1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 53
References: 259
Patents: 230.12799 Da
Monoisotopic Mass: -0.3
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]+	231.13527	146.9
[M+Na]+	253.11721	151.7
[M-H]-	229.12071	152.8
[M+NH4]+	248.16181	166.1
[M+K]+	269.09115	149.5
[M+H-H2O]+	213.12525	139.0
[M+HCOO]-	275.12619	175.5
[M+CH3COO]-	289.14184	209.4
[M+Na-2H]-	251.10266	150.7
[M]+	230.12744	139.4
[M]-	230.12854	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe