CID 498176

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.129116 140.5
[M+Na]+ 213.111058 144.8
[M-H]- 189.114564 141.6
[M+NH4]+ 208.155663 155.8
[M+K]+ 229.084998 145.6
[M+H-H2O]+ 173.119100 132.6
[M+HCOO]- 235.120041 157.9
[M+CH3COO]- 249.135691 150.7
[M+Na-2H]- 211.096506 146.7
[M]+ 190.12129142 130.1
[M]- 190.12238858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe