CID 11438278

Cryptodorine

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1CNC2CC3=CC4=C(C=C3C5=C2C1=CC6=C5OCO6)OCO4
InChI
InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2
InChIKey
OMIDMWVBRZAVMK-UHFFFAOYSA-N
Compound name
5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

309.1001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 159.6
[M+Na]+ 332.08932 167.8
[M-H]- 308.09282 166.5
[M+NH4]+ 327.13392 175.4
[M+K]+ 348.06326 166.6
[M+H-H2O]+ 292.09736 154.2
[M+HCOO]- 354.09830 168.3
[M+CH3COO]- 368.11395 170.6
[M+Na-2H]- 330.07477 164.7
[M]+ 309.09955 161.0
[M]- 309.10065 161.0
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