CID 155977945

2624109-46-0

Structural Information

Molecular Formula
C29H30N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N[C@@H]([C@@H]4[C@H]3[C@H]5CC[C@@H]4C5)C6=CC=CC=C6)C
InChI
InChI=1S/C29H30N2O/c1-17-8-12-23(14-18(17)2)30-29(32)22-11-13-25-24(16-22)26-20-9-10-21(15-20)27(26)28(31-25)19-6-4-3-5-7-19/h3-8,11-14,16,20-21,26-28,31H,9-10,15H2,1-2H3,(H,30,32)/t20-,21+,26-,27-,28+/m0/s1
InChIKey
JQWRPMXXUZANHG-LVPLEIMCSA-N
Compound name
(1S,2R,10S,11S,12R)-N-(3,4-dimethylphenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.2358 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.24308 206.3
[M+Na]+ 445.22502 219.4
[M+NH4]+ 440.26962 216.0
[M+K]+ 461.19896 213.1
[M-H]- 421.22852 213.1
[M+Na-2H]- 443.21047 210.0
[M]+ 422.23525 210.1
[M]- 422.23635 210.1
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.