CID 599086

Chimonanthine

Structural Information

Molecular Formula
C22H26N4
SMILES
CN1CCC2(C1NC3=CC=CC=C32)C45CCN(C4NC6=CC=CC=C56)C
InChI
InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3
InChIKey
HOYXPMHLHJOGHD-UHFFFAOYSA-N
Compound name
3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

21
Patents

346.21576 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22304 185.3
[M+Na]+ 369.20498 194.3
[M-H]- 345.20848 189.4
[M+NH4]+ 364.24958 206.6
[M+K]+ 385.17892 186.1
[M+H-H2O]+ 329.21302 176.4
[M+HCOO]- 391.21396 195.8
[M+CH3COO]- 405.22961 194.1
[M+Na-2H]- 367.19043 180.7
[M]+ 346.21521 181.3
[M]- 346.21631 181.3
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