CID 375143

Curryangine

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C3C4=C1OC5(CCC(C4C5)C(N3C6=CC=CC=C62)(C)C)C
InChI
InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3
InChIKey
YPSWCORASQDCJM-UHFFFAOYSA-N
Compound name
3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

331.1936 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 182.5
[M+Na]+ 354.18282 198.5
[M+NH4]+ 349.22742 197.4
[M+K]+ 370.15676 186.1
[M-H]- 330.18632 187.3
[M+Na-2H]- 352.16827 184.8
[M]+ 331.19305 187.0
[M]- 331.19415 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