CID 41250

54951-35-8

Structural Information

Molecular Formula
C19H32N2
SMILES
CC(C)N(CCCN1CCCCC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C19H32N2/c1-16(2)21(17(3)4)15-9-14-20-13-8-7-11-18-10-5-6-12-19(18)20/h5-6,10,12,16-17H,7-9,11,13-15H2,1-4H3
InChIKey
HGUGVPVTKBLXPA-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25656 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.263836 169.5
[M+Na]+ 311.245778 170.7
[M-H]- 287.249284 173.5
[M+NH4]+ 306.290383 184.2
[M+K]+ 327.219718 172.6
[M+H-H2O]+ 271.253820 162.0
[M+HCOO]- 333.254761 185.7
[M+CH3COO]- 347.270411 213.2
[M+Na-2H]- 309.231226 170.3
[M]+ 288.25601142 166.1
[M]- 288.25710858 166.1
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.