CID 3038919

41972-85-4

Structural Information

Molecular Formula
C18H20N2
SMILES
CN(C)CCC1=CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C18H20N2/c1-20(2)12-11-14-13-15-7-3-5-9-17(15)19-18-10-6-4-8-16(14)18/h3-10,13,19H,11-12H2,1-2H3
InChIKey
XZDNUZNEDRZTKW-UHFFFAOYSA-N
Compound name
2-(11H-benzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 160.9
[M+Na]+ 287.15188 167.2
[M-H]- 263.15538 166.1
[M+NH4]+ 282.19648 177.3
[M+K]+ 303.12582 166.3
[M+H-H2O]+ 247.15992 154.5
[M+HCOO]- 309.16086 180.5
[M+CH3COO]- 323.17651 171.9
[M+Na-2H]- 285.13733 168.2
[M]+ 264.16211 158.6
[M]- 264.16321 158.6
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

patents stripe