CID 393364

Nsc695171

Structural Information

Molecular Formula
C23H12O6
SMILES
CC12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C2C(=C(C=C6)C=O)O4)C=O
InChI
InChI=1S/C23H12O6/c1-23-17-14-5-2-11(8-24)20(17)28-15-6-3-13(10-26)22(18(15)23)29-16-7-4-12(9-25)21(27-14)19(16)23/h2-10H,1H3
InChIKey
YPYFHLUZUWOSPH-UHFFFAOYSA-N
Compound name
1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-4,10,16-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07068 186.0
[M+Na]+ 407.05262 196.0
[M-H]- 383.05612 193.3
[M+NH4]+ 402.09722 200.7
[M+K]+ 423.02656 195.1
[M+H-H2O]+ 367.06066 174.2
[M+HCOO]- 429.06160 196.1
[M+CH3COO]- 443.07725 196.3
[M+Na-2H]- 405.03807 196.1
[M]+ 384.06285 195.8
[M]- 384.06395 195.8
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.