CID 138987547

2305252-07-5

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C(C1)NC
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-12-7-5-6-8-13(12)14(11-18)17-4/h5-8,14,17H,9-11H2,1-4H3
InChIKey
RUAGTWDBSVNUMH-UHFFFAOYSA-N
Compound name
tert-butyl 5-(methylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 163.2
[M+Na]+ 299.17300 167.3
[M-H]- 275.17650 167.1
[M+NH4]+ 294.21760 178.3
[M+K]+ 315.14694 169.6
[M+H-H2O]+ 259.18104 156.9
[M+HCOO]- 321.18198 179.9
[M+CH3COO]- 335.19763 203.3
[M+Na-2H]- 297.15845 167.5
[M]+ 276.18323 160.0
[M]- 276.18433 160.0
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.