CID 2771826

195983-63-2

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2=CC=CC=C2C1
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-15-12-7-5-4-6-11(12)10-16/h4-7,15H,8-10H2,1-3H3
InChIKey
BVENZEAGNIYZSY-UHFFFAOYSA-N
Compound name
tert-butyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

63
Patents

248.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.7
[M+Na]+ 271.14170 165.5
[M+NH4]+ 266.18630 162.7
[M+K]+ 287.11564 162.0
[M-H]- 247.14520 156.2
[M+Na-2H]- 269.12715 160.6
[M]+ 248.15193 157.6
[M]- 248.15303 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe