CID 6434449

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

Structural Information

Molecular Formula
C22H27N
SMILES
CNCC/C=C(\C1=CC=CC=C1)/C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C22H27N/c1-23-16-8-13-22(19-10-5-3-6-11-19)21-15-14-18-9-4-2-7-12-20(18)17-21/h3,5-6,10-11,13-15,17,23H,2,4,7-9,12,16H2,1H3/b22-13+
InChIKey
UWLZFOJMVBFHAS-LPYMAVHISA-N
Compound name
(E)-N-methyl-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

305.21436 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 175.2
[M+Na]+ 328.20358 176.8
[M-H]- 304.20708 182.0
[M+NH4]+ 323.24818 189.3
[M+K]+ 344.17752 175.1
[M+H-H2O]+ 288.21162 168.5
[M+HCOO]- 350.21256 193.5
[M+CH3COO]- 364.22821 184.0
[M+Na-2H]- 326.18903 178.1
[M]+ 305.21381 168.4
[M]- 305.21491 168.4
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.