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

16
Patents

262.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 159.6
[M+Na]+ 285.157338 162.7
[M-H]- 261.160844 161.9
[M+NH4]+ 280.201943 174.2
[M+K]+ 301.131278 164.4
[M+H-H2O]+ 245.165380 153.4
[M+HCOO]- 307.166321 175.2
[M+CH3COO]- 321.181971 197.0
[M+Na-2H]- 283.142786 164.6
[M]+ 262.16757142 153.9
[M]- 262.16866858 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