CID 58144

Indolophenanthridine

Structural Information

Molecular Formula
C19H18N2
SMILES
CN1CC2=CC=CC=C2[C@H]3[C@H]1CC4=CNC5=CC=CC3=C45
InChI
InChI=1S/C19H18N2/c1-21-11-12-5-2-3-6-14(12)19-15-7-4-8-16-18(15)13(10-20-16)9-17(19)21/h2-8,10,17,19-20H,9,11H2,1H3/t17-,19-/m1/s1
InChIKey
WRNKIDLXXXIELU-IEBWSBKVSA-N
Compound name
(2R,11R)-10-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

65
References

65
Patents

274.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15428 164.4
[M+Na]+ 297.13622 180.9
[M+NH4]+ 292.18082 175.8
[M+K]+ 313.11016 172.5
[M-H]- 273.13972 168.6
[M+Na-2H]- 295.12167 169.4
[M]+ 274.14645 168.2
[M]- 274.14755 168.2
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