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]+ 277.191056 163.2
[M+Na]+ 299.172998 167.3
[M-H]- 275.176504 167.1
[M+NH4]+ 294.217603 178.3
[M+K]+ 315.146938 169.6
[M+H-H2O]+ 259.181040 156.9
[M+HCOO]- 321.181981 179.9
[M+CH3COO]- 335.197631 203.3
[M+Na-2H]- 297.158446 167.5
[M]+ 276.18323142 160.0
[M]- 276.18432858 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.