CID 375144

Currayanine

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(=C)C)C)NC5=CC=CC=C52
InChI
InChI=1S/C23H25NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,15,18,24H,1,9-10,12H2,2-4H3
InChIKey
KXNHNLQCCJZSEK-UHFFFAOYSA-N
Compound name
13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

331.1936 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.200876 181.3
[M+Na]+ 354.182818 190.2
[M-H]- 330.186324 184.7
[M+NH4]+ 349.227423 200.4
[M+K]+ 370.156758 183.0
[M+H-H2O]+ 314.190860 173.0
[M+HCOO]- 376.191801 191.4
[M+CH3COO]- 390.207451 190.9
[M+Na-2H]- 352.168266 184.4
[M]+ 331.19305142 180.4
[M]- 331.19414858 180.4
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