CID 3055533

72575-47-4

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN(C)[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC=C(C=C3)N
InChI
InChI=1S/C19H24N2O/c1-21(2)16-10-7-14-5-3-4-6-18(14)19(13-16)22-17-11-8-15(20)9-12-17/h3-6,8-9,11-12,16,19H,7,10,13,20H2,1-2H3/t16-,19-/m0/s1
InChIKey
XJSOJQHKGIZCCO-LPHOPBHVSA-N
Compound name
(5S,7S)-5-(4-aminophenoxy)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 170.3
[M+Na]+ 319.17809 174.1
[M-H]- 295.18159 179.2
[M+NH4]+ 314.22269 185.5
[M+K]+ 335.15203 175.5
[M+H-H2O]+ 279.18613 163.3
[M+HCOO]- 341.18707 191.4
[M+CH3COO]- 355.20272 180.7
[M+Na-2H]- 317.16354 173.4
[M]+ 296.18832 165.6
[M]- 296.18942 165.6
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.