CID 114382

1-phthalanpropylamine, n,n,3,3-tetramethyl-1-p-tolyl-, hydrochloride

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(O2)(C)C)CCCN(C)C
InChI
InChI=1S/C22H29NO/c1-17-11-13-18(14-12-17)22(15-8-16-23(4)5)20-10-7-6-9-19(20)21(2,3)24-22/h6-7,9-14H,8,15-16H2,1-5H3
InChIKey
SOPBLPCUZPASQG-UHFFFAOYSA-N
Compound name
3-[3,3-dimethyl-1-(4-methylphenyl)-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 179.8
[M+Na]+ 346.21412 187.5
[M-H]- 322.21762 189.4
[M+NH4]+ 341.25872 200.3
[M+K]+ 362.18806 184.6
[M+H-H2O]+ 306.22216 172.5
[M+HCOO]- 368.22310 201.4
[M+CH3COO]- 382.23875 216.6
[M+Na-2H]- 344.19957 183.4
[M]+ 323.22435 184.1
[M]- 323.22545 184.1
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.