CID 73994790

Tert-butyl 3-methyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1CNC2=CC=CC=C2N(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H22N2O2/c1-11-9-16-12-7-5-6-8-13(12)17(10-11)14(18)19-15(2,3)4/h5-8,11,16H,9-10H2,1-4H3
InChIKey
AMLTVONAVNZBPJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

262.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 160.9
[M+Na]+ 285.15734 169.9
[M+NH4]+ 280.20194 166.8
[M+K]+ 301.13128 166.4
[M-H]- 261.16084 160.5
[M+Na-2H]- 283.14279 164.3
[M]+ 262.16757 161.9
[M]- 262.16867 161.9
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.