CID 41243

Brn 1481996

Structural Information

Molecular Formula
C19H30N2O
SMILES
CC(C)N(CCCN1C(=O)CCCC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C19H30N2O/c1-15(2)20(16(3)4)13-8-14-21-18-11-6-5-9-17(18)10-7-12-19(21)22/h5-6,9,11,15-16H,7-8,10,12-14H2,1-4H3
InChIKey
HVQFBBXWCVYDNC-UHFFFAOYSA-N
Compound name
1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 171.2
[M+Na]+ 325.22502 173.5
[M-H]- 301.22852 175.7
[M+NH4]+ 320.26962 185.5
[M+K]+ 341.19896 175.7
[M+H-H2O]+ 285.23306 163.9
[M+HCOO]- 347.23400 187.8
[M+CH3COO]- 361.24965 215.3
[M+Na-2H]- 323.21047 171.5
[M]+ 302.23525 168.9
[M]- 302.23635 168.9
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

No patent data available for this compound.