CID 131750989

Isomurrayazoline

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C(C=C1)N3C4=C2C=CC5=C4C6CC(O5)(CCC6C3(C)C)C
InChI
InChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3
InChIKey
SCQKOFCBSCEEQG-UHFFFAOYSA-N
Compound name
8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe