CID 70695665

Lortalamine

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CN1CC[C@]23[C@@H](C1)[C@H](CC(=O)N2)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C15H17ClN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)/t10-,12+,15+/m1/s1
InChIKey
MJRPHRMGEKCADU-GMXABZIVSA-N
Compound name
(1S,9S,10R)-6-chloro-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

767
Patents

292.09787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 165.9
[M+Na]+ 315.087088 173.8
[M-H]- 291.090594 167.8
[M+NH4]+ 310.131693 182.1
[M+K]+ 331.061028 168.5
[M+H-H2O]+ 275.095130 157.1
[M+HCOO]- 337.096071 170.4
[M+CH3COO]- 351.111721 175.2
[M+Na-2H]- 313.072536 171.1
[M]+ 292.09732142 162.4
[M]- 292.09841858 162.4
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.