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]+ 368.18562 188.4
[M+Na]+ 390.16756 196.2
[M-H]- 366.17106 191.7
[M+NH4]+ 385.21216 204.8
[M+K]+ 406.14150 191.5
[M+H-H2O]+ 350.17560 178.8
[M+HCOO]- 412.17654 201.2
[M+CH3COO]- 426.19219 222.0
[M+Na-2H]- 388.15301 192.2
[M]+ 367.17779 192.1
[M]- 367.17889 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.