CID 3071097

87255-67-2

Structural Information

Molecular Formula
C23H24N2O2
SMILES
COC1=CC2=C(C=C1)N3C(=O)CCCC4C3=C2CCN4CC5=CC=CC=C5
InChI
InChI=1S/C23H24N2O2/c1-27-17-10-11-20-19(14-17)18-12-13-24(15-16-6-3-2-4-7-16)21-8-5-9-22(26)25(20)23(18)21/h2-4,6-7,10-11,14,21H,5,8-9,12-13,15H2,1H3
InChIKey
XXKYIBNMERUGAE-UHFFFAOYSA-N
Compound name
4-benzyl-14-methoxy-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.191056 189.7
[M+Na]+ 383.172998 197.3
[M-H]- 359.176504 196.9
[M+NH4]+ 378.217603 204.0
[M+K]+ 399.146938 193.6
[M+H-H2O]+ 343.181040 181.1
[M+HCOO]- 405.181981 204.3
[M+CH3COO]- 419.197631 198.9
[M+Na-2H]- 381.158446 191.7
[M]+ 360.18323142 188.2
[M]- 360.18432858 188.2
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.