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]+ 412.17546 199.6
[M+Na]+ 434.15740 210.2
[M-H]- 410.16090 204.5
[M+NH4]+ 429.20200 212.8
[M+K]+ 450.13134 207.5
[M+H-H2O]+ 394.16544 189.5
[M+HCOO]- 456.16638 216.0
[M+CH3COO]- 470.18203 233.4
[M+Na-2H]- 432.14285 202.7
[M]+ 411.16763 212.1
[M]- 411.16873 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.