CID 10432278

Murrastifoline f

Structural Information

Molecular Formula
C28H24N2O2
SMILES
CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)C4=C5C6=CC=CC=C6NC5=C(C=C4C)OC
InChI
InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3
InChIKey
OBQIZMYFDVTSTF-UHFFFAOYSA-N
Compound name
1-methoxy-4-(1-methoxy-3-methylcarbazol-9-yl)-3-methyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

420.18378 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19106 207.0
[M+Na]+ 443.17300 220.8
[M-H]- 419.17650 216.2
[M+NH4]+ 438.21760 222.1
[M+K]+ 459.14694 212.0
[M+H-H2O]+ 403.18104 197.6
[M+HCOO]- 465.18198 226.4
[M+CH3COO]- 479.19763 217.8
[M+Na-2H]- 441.15845 208.5
[M]+ 420.18323 216.0
[M]- 420.18433 216.0
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