CID 100952373

7-formyldehydrothalicsimidine

Structural Information

Molecular Formula
C23H25NO6
SMILES
CN1CCC2=C3C1=C(C4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC)C=O
InChI
InChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3
InChIKey
JSQVAGZIQIKFIG-UHFFFAOYSA-N
Compound name
4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.175456 199.6
[M+Na]+ 434.157398 210.2
[M-H]- 410.160904 204.5
[M+NH4]+ 429.202003 212.8
[M+K]+ 450.131338 207.5
[M+H-H2O]+ 394.165440 189.5
[M+HCOO]- 456.166381 216.0
[M+CH3COO]- 470.182031 233.4
[M+Na-2H]- 432.142846 202.7
[M]+ 411.16763142 212.1
[M]- 411.16872858 212.1
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.