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]+ 279.18556 166.9
[M+Na]+ 301.16750 171.8
[M-H]- 277.17100 173.5
[M+NH4]+ 296.21210 181.4
[M+K]+ 317.14144 170.6
[M+H-H2O]+ 261.17554 159.1
[M+HCOO]- 323.17648 187.1
[M+CH3COO]- 337.19213 177.2
[M+Na-2H]- 299.15295 172.9
[M]+ 278.17773 162.6
[M]- 278.17883 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.