CID 3058534

75370-54-6

Structural Information

Molecular Formula
C23H27NO4
SMILES
COC1=C(C=C2C(=C1)CC3CC24C=C(C(=O)C=C4CN3CC5CC5)OC)OC
InChI
InChI=1S/C23H27NO4/c1-26-20-7-15-6-17-10-23(18(15)9-21(20)27-2)11-22(28-3)19(25)8-16(23)13-24(17)12-14-4-5-14/h7-9,11,14,17H,4-6,10,12-13H2,1-3H3
InChIKey
PFNZYEXYHSTRIC-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-4,5,15-trimethoxy-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

381.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 192.5
[M+Na]+ 404.18322 208.1
[M+NH4]+ 399.22782 203.3
[M+K]+ 420.15716 198.9
[M-H]- 380.18672 203.8
[M+Na-2H]- 402.16867 199.5
[M]+ 381.19345 199.5
[M]- 381.19455 199.5
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.