CID 6434407

1-phenyl-1-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)-4-dimethylaminobutene maleate

Structural Information

Molecular Formula
C23H29N
SMILES
CN(C)CC/C=C(\C1=CC=CC=C1)/C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C23H29N/c1-24(2)17-9-14-23(20-11-6-4-7-12-20)22-16-15-19-10-5-3-8-13-21(19)18-22/h4,6-7,11-12,14-16,18H,3,5,8-10,13,17H2,1-2H3/b23-14+
InChIKey
IDOUJOFSQBJKAF-OEAKJJBVSA-N
Compound name
(E)-N,N-dimethyl-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 181.4
[M+Na]+ 342.21922 192.3
[M+NH4]+ 337.26382 190.0
[M+K]+ 358.19316 184.2
[M-H]- 318.22272 187.3
[M+Na-2H]- 340.20467 188.9
[M]+ 319.22945 184.8
[M]- 319.23055 184.8
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

No patent data available for this compound.