CID 23241542

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

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1CCN(C2=CC=CC=C2N1)C
InChI
InChI=1S/C11H16N2/c1-9-7-8-13(2)11-6-4-3-5-10(11)12-9/h3-6,9,12H,7-8H2,1-2H3
InChIKey
AGABNIRAYIUGKB-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 136.4
[M+Na]+ 199.120568 142.6
[M-H]- 175.124074 138.0
[M+NH4]+ 194.165173 153.6
[M+K]+ 215.094508 142.9
[M+H-H2O]+ 159.128610 129.7
[M+HCOO]- 221.129551 152.9
[M+CH3COO]- 235.145201 147.9
[M+Na-2H]- 197.106016 142.7
[M]+ 176.13080142 130.1
[M]- 176.13189858 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

No patent data available for this compound.