CID 5324360

Picrasidine i

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC1=CN=C(C2=C1C3=C(N2)C(=CC=C3)O)C=C
InChI
InChI=1S/C14H12N2O2/c1-3-9-14-12(11(18-2)7-15-9)8-5-4-6-10(17)13(8)16-14/h3-7,16-17H,1H2,2H3
InChIKey
JOHWQLSNGRWJRK-UHFFFAOYSA-N
Compound name
1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

240.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.7
[M+Na]+ 263.079088 164.8
[M-H]- 239.082594 154.2
[M+NH4]+ 258.123693 171.0
[M+K]+ 279.053028 158.5
[M+H-H2O]+ 223.087130 146.0
[M+HCOO]- 285.088071 172.4
[M+CH3COO]- 299.103721 165.4
[M+Na-2H]- 261.064536 159.0
[M]+ 240.08932142 155.3
[M]- 240.09041858 155.3
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