CID 32348

Bpd-i

Structural Information

Molecular Formula
C18H19N
SMILES
CN1CC2=CC=CC=C2[C@H]3[C@H]1C4=CC=CC=C4CC3
InChI
InChI=1S/C18H19N/c1-19-12-14-7-3-4-8-15(14)17-11-10-13-6-2-5-9-16(13)18(17)19/h2-9,17-18H,10-12H2,1H3/t17-,18+/m0/s1
InChIKey
RKUPAUHKGCQAHB-ZWKOTPCHSA-N
Compound name
(4bS,10bS)-5-methyl-6,10b,11,12-tetrahydro-4bH-benzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.15175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 156.8
[M+Na]+ 272.14097 164.0
[M-H]- 248.14447 160.7
[M+NH4]+ 267.18557 175.6
[M+K]+ 288.11491 157.8
[M+H-H2O]+ 232.14901 148.0
[M+HCOO]- 294.14995 171.9
[M+CH3COO]- 308.16560 167.7
[M+Na-2H]- 270.12642 164.0
[M]+ 249.15120 152.9
[M]- 249.15230 152.9
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