CID 206774

Brn 0617406

Structural Information

Molecular Formula
C16H13N3
SMILES
C1CN=C(C2=C1C3=CC=CC=C3N2)C4=CC=NC=C4
InChI
InChI=1S/C16H13N3/c1-2-4-14-12(3-1)13-7-10-18-15(16(13)19-14)11-5-8-17-9-6-11/h1-6,8-9,19H,7,10H2
InChIKey
JYXAZVOJJWCIFF-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.11095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 155.0
[M+Na]+ 270.10017 165.0
[M-H]- 246.10367 158.5
[M+NH4]+ 265.14477 171.1
[M+K]+ 286.07411 157.6
[M+H-H2O]+ 230.10821 145.4
[M+HCOO]- 292.10915 173.5
[M+CH3COO]- 306.12480 166.6
[M+Na-2H]- 268.08562 163.0
[M]+ 247.11040 153.5
[M]- 247.11150 153.5
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