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 187.5
[M+Na]+ 374.24545 188.6
[M-H]- 350.24895 195.4
[M+NH4]+ 369.29005 200.5
[M+K]+ 390.21939 189.1
[M+H-H2O]+ 334.25349 180.3
[M+HCOO]- 396.25443 205.0
[M+CH3COO]- 410.27008 221.3
[M+Na-2H]- 372.23090 190.5
[M]+ 351.25568 184.6
[M]- 351.25678 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.