CID 207750

30670-49-6

Structural Information

Molecular Formula
C19H22N2
SMILES
CCCNC1=NCCC(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2/c1-2-13-20-19-18-11-7-6-10-17(18)16(12-14-21-19)15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3,(H,20,21)
InChIKey
FCNVUQUXEKSPQD-UHFFFAOYSA-N
Compound name
5-phenyl-N-propyl-4,5-dihydro-3H-2-benzazepin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 166.9
[M+Na]+ 301.167498 171.8
[M-H]- 277.171004 173.5
[M+NH4]+ 296.212103 181.4
[M+K]+ 317.141438 170.6
[M+H-H2O]+ 261.175540 159.1
[M+HCOO]- 323.176481 187.1
[M+CH3COO]- 337.192131 177.2
[M+Na-2H]- 299.152946 172.9
[M]+ 278.17773142 162.6
[M]- 278.17882858 162.6
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.