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]+ 289.26384 169.5
[M+Na]+ 311.24578 170.7
[M-H]- 287.24928 173.5
[M+NH4]+ 306.29038 184.2
[M+K]+ 327.21972 172.6
[M+H-H2O]+ 271.25382 162.0
[M+HCOO]- 333.25476 185.7
[M+CH3COO]- 347.27041 213.2
[M+Na-2H]- 309.23123 170.3
[M]+ 288.25601 166.1
[M]- 288.25711 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.