CID 134222

83385-97-1

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C(=CC=C2)O
InChI
InChI=1S/C19H23ClN2O/c1-21(2)11-4-12-22-17-5-3-6-19(23)16(17)10-8-14-7-9-15(20)13-18(14)22/h3,5-7,9,13,23H,4,8,10-12H2,1-2H3
InChIKey
INPXEQNHQVLPFN-UHFFFAOYSA-N
Compound name
9-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 176.1
[M+Na]+ 353.13912 184.0
[M-H]- 329.14262 180.9
[M+NH4]+ 348.18372 191.3
[M+K]+ 369.11306 182.6
[M+H-H2O]+ 313.14716 169.3
[M+HCOO]- 375.14810 189.9
[M+CH3COO]- 389.16375 186.3
[M+Na-2H]- 351.12457 180.1
[M]+ 330.14935 176.8
[M]- 330.15045 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.