CID 392685

Nsc693403

Structural Information

Molecular Formula
C24H23NO2
SMILES
COC(=O)N1CC2C1C3C2C4CC3C(=C4C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C24H23NO2/c1-27-24(26)25-13-18-21-16-12-17(22(21)23(18)25)20(15-10-6-3-7-11-15)19(16)14-8-4-2-5-9-14/h2-11,16-18,21-23H,12-13H2,1H3
InChIKey
FZZYGBFGNWPQRI-UHFFFAOYSA-N
Compound name
methyl 9,10-diphenyl-4-azatetracyclo[6.2.1.02,7.03,6]undec-9-ene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 174.7
[M+Na]+ 380.16210 179.8
[M-H]- 356.16560 184.0
[M+NH4]+ 375.20670 180.4
[M+K]+ 396.13604 180.2
[M+H-H2O]+ 340.17014 159.7
[M+HCOO]- 402.17108 188.8
[M+CH3COO]- 416.18673 183.9
[M+Na-2H]- 378.14755 173.5
[M]+ 357.17233 192.9
[M]- 357.17343 192.9
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.