CID 3040017

1-propanamine, n,n-dimethyl-3-(1-phenyl-1-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)ethoxy)-, (z)-2-butenedioate

Structural Information

Molecular Formula
C24H33NO
SMILES
CC(C1=CC=CC=C1)(C2=CC3=C(CCCCC3)C=C2)OCCCN(C)C
InChI
InChI=1S/C24H33NO/c1-24(22-13-8-5-9-14-22,26-18-10-17-25(2)3)23-16-15-20-11-6-4-7-12-21(20)19-23/h5,8-9,13-16,19H,4,6-7,10-12,17-18H2,1-3H3
InChIKey
APFDVNXQZOMHNG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 191.0
[M+Na]+ 374.24545 201.2
[M+NH4]+ 369.29005 199.0
[M+K]+ 390.21939 193.7
[M-H]- 350.24895 196.2
[M+Na-2H]- 372.23090 198.1
[M]+ 351.25568 194.1
[M]- 351.25678 194.1
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.