CID 3058532

75370-53-5

Structural Information

Molecular Formula
C22H25NO4
SMILES
COC1=C(C=C2C(=C1)CC3CC24C=C(C(=O)C=C4CN3CC=C)OC)OC
InChI
InChI=1S/C22H25NO4/c1-5-6-23-13-15-9-18(24)21(27-4)12-22(15)11-16(23)7-14-8-19(25-2)20(26-3)10-17(14)22/h5,8-10,12,16H,1,6-7,11,13H2,2-4H3
InChIKey
CARXTSQTVCYSLL-UHFFFAOYSA-N
Compound name
4,5,15-trimethoxy-10-prop-2-enyl-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 188.4
[M+Na]+ 390.167558 196.2
[M-H]- 366.171064 191.7
[M+NH4]+ 385.212163 204.8
[M+K]+ 406.141498 191.5
[M+H-H2O]+ 350.175600 178.8
[M+HCOO]- 412.176541 201.2
[M+CH3COO]- 426.192191 222.0
[M+Na-2H]- 388.153006 192.2
[M]+ 367.17779142 192.1
[M]- 367.17888858 192.1
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.