CID 39581

50280-00-7

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)OC)OCO4
InChI
InChI=1S/C21H20N2O4/c1-22-8-7-17-16(11-22)15-9-19-20(27-12-26-19)10-18(15)23(17)21(24)13-3-5-14(25-2)6-4-13/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
VTFXMRKVXPQERE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(4-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.149576 184.7
[M+Na]+ 387.131518 194.1
[M-H]- 363.135024 193.5
[M+NH4]+ 382.176123 198.4
[M+K]+ 403.105458 191.5
[M+H-H2O]+ 347.139560 176.9
[M+HCOO]- 409.140501 199.7
[M+CH3COO]- 423.156151 195.6
[M+Na-2H]- 385.116966 185.5
[M]+ 364.14175142 189.4
[M]- 364.14284858 189.4
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.