CID 132327592

2126161-48-4

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2NC1
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-8-11-6-4-5-7-13(11)16-10-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18)
InChIKey
AOIIOUQUKIGXNI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

262.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 159.6
[M+Na]+ 285.15734 162.7
[M-H]- 261.16084 161.9
[M+NH4]+ 280.20194 174.2
[M+K]+ 301.13128 164.4
[M+H-H2O]+ 245.16538 153.4
[M+HCOO]- 307.16632 175.2
[M+CH3COO]- 321.18197 197.0
[M+Na-2H]- 283.14279 164.6
[M]+ 262.16757 153.9
[M]- 262.16867 153.9
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

patents stripe