CID 72616

Cryptopine

Structural Information

Molecular Formula
C21H23NO5
SMILES
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC
InChI
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey
XPOJSWHIKCNLEQ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

324
Patents

369.15762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 183.8
[M+Na]+ 392.14684 197.3
[M+NH4]+ 387.19144 190.6
[M+K]+ 408.12078 192.7
[M-H]- 368.15034 188.9
[M+Na-2H]- 390.13229 185.3
[M]+ 369.15707 187.0
[M]- 369.15817 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe