CID 29976360

14171-67-6

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl)[O-]
InChI
InChI=1S/C19H23ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey
ARNOTLDVJSFYBP-UHFFFAOYSA-N
Compound name
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

330.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 178.8
[M+Na]+ 353.13912 185.4
[M-H]- 329.14262 183.0
[M+NH4]+ 348.18372 193.4
[M+K]+ 369.11306 179.2
[M+H-H2O]+ 313.14716 176.5
[M+HCOO]- 375.14810 192.0
[M+CH3COO]- 389.16375 207.0
[M+Na-2H]- 351.12457 186.6
[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

No literature data available for this compound.

Patent stripe

patents stripe