CID 498176

Nsc293795

Structural Information

Molecular Formula

C₁₀H₁₄N₄

SMILES

C1CN(CC2=CC=CC=C2N1)C(=N)N

InChI

InChI=1S/C10H14N4/c11-10(12)14-6-5-13-9-4-2-1-3-8(9)7-14/h1-4,13H,5-7H2,(H3,11,12)

InChIKey

UHBRXVWSEOVVBM-UHFFFAOYSA-N

Compound name

1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.12184 Da
Monoisotopic Mass: 0.5
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]+	191.12912	140.5
[M+Na]+	213.11106	144.8
[M-H]-	189.11456	141.6
[M+NH4]+	208.15566	155.8
[M+K]+	229.08500	145.6
[M+H-H2O]+	173.11910	132.6
[M+HCOO]-	235.12004	157.9
[M+CH3COO]-	249.13569	150.7
[M+Na-2H]-	211.09651	146.7
[M]+	190.12129	130.1
[M]-	190.12239	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe