CID 392697

Nsc693415

Structural Information

Molecular Formula
C20H21ClO4
SMILES
COC1=C(C=C2C(C3=CC(=C(C=C3C=CC2=C1)OC)OC)CCl)OC
InChI
InChI=1S/C20H21ClO4/c1-22-17-7-12-5-6-13-8-18(23-2)20(25-4)10-15(13)16(11-21)14(12)9-19(17)24-3/h5-10,16H,11H2,1-4H3
InChIKey
ZHBDIBKYVHSOOT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.11282 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12010 179.6
[M+Na]+ 383.10204 190.1
[M-H]- 359.10554 186.8
[M+NH4]+ 378.14664 195.8
[M+K]+ 399.07598 190.6
[M+H-H2O]+ 343.11008 174.6
[M+HCOO]- 405.11102 196.1
[M+CH3COO]- 419.12667 217.8
[M+Na-2H]- 381.08749 183.6
[M]+ 360.11227 187.6
[M]- 360.11337 187.6
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.