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]+ 352.263506 187.5
[M+Na]+ 374.245448 188.6
[M-H]- 350.248954 195.4
[M+NH4]+ 369.290053 200.5
[M+K]+ 390.219388 189.1
[M+H-H2O]+ 334.253490 180.3
[M+HCOO]- 396.254431 205.0
[M+CH3COO]- 410.270081 221.3
[M+Na-2H]- 372.230896 190.5
[M]+ 351.25568142 184.6
[M]- 351.25677858 184.6
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

No patent data available for this compound.