CID 3048899

64097-62-7

Structural Information

Molecular Formula
C24H33N3
SMILES
CN(C)CCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)CN4CCCCC4
InChI
InChI=1S/C24H33N3/c1-25(2)16-17-27-23-9-5-4-8-21(23)11-12-22-18-20(10-13-24(22)27)19-26-14-6-3-7-15-26/h4-5,8-10,13,18H,3,6-7,11-12,14-17,19H2,1-2H3
InChIKey
OWDUDAQMLZHGGR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[3-(piperidin-1-ylmethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.26746 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.27474 191.5
[M+Na]+ 386.25668 193.9
[M-H]- 362.26018 197.4
[M+NH4]+ 381.30128 202.5
[M+K]+ 402.23062 191.9
[M+H-H2O]+ 346.26472 180.9
[M+HCOO]- 408.26566 204.7
[M+CH3COO]- 422.28131 198.6
[M+Na-2H]- 384.24213 193.4
[M]+ 363.26691 185.4
[M]- 363.26801 185.4
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.