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

2
Patents

249.15175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 156.8
[M+Na]+ 272.140968 164.0
[M-H]- 248.144474 160.7
[M+NH4]+ 267.185573 175.6
[M+K]+ 288.114908 157.8
[M+H-H2O]+ 232.149010 148.0
[M+HCOO]- 294.149951 171.9
[M+CH3COO]- 308.165601 167.7
[M+Na-2H]- 270.126416 164.0
[M]+ 249.15120142 152.9
[M]- 249.15229858 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