CID 371196

Nsc645247

Structural Information

Molecular Formula
C23H27NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4C(N3CC=C)CC2=C1)OC)OC)OC
InChI
InChI=1S/C23H27NO4/c1-6-7-24-18-8-14-10-20(25-2)22(27-4)12-16(14)19(24)9-15-11-21(26-3)23(28-5)13-17(15)18/h6,10-13,18-19H,1,7-9H2,2-5H3
InChIKey
OLODCUAUWYJGSM-UHFFFAOYSA-N
Compound name
4,5,12,13-tetramethoxy-17-prop-2-enyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 193.5
[M+Na]+ 404.18322 201.5
[M-H]- 380.18672 196.3
[M+NH4]+ 399.22782 208.0
[M+K]+ 420.15716 196.9
[M+H-H2O]+ 364.19126 184.0
[M+HCOO]- 426.19220 206.8
[M+CH3COO]- 440.20785 227.0
[M+Na-2H]- 402.16867 196.4
[M]+ 381.19345 199.7
[M]- 381.19455 199.7
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.