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 179.1
[M+Na]+ 342.21922 180.5
[M-H]- 318.22272 187.1
[M+NH4]+ 337.26382 193.3
[M+K]+ 358.19316 179.8
[M+H-H2O]+ 302.22726 172.1
[M+HCOO]- 364.22820 197.5
[M+CH3COO]- 378.24385 188.0
[M+Na-2H]- 340.20467 180.8
[M]+ 319.22945 173.8
[M]- 319.23055 173.8
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.