CID 201271

Brn 0894665

Structural Information

Molecular Formula
C17H17N3O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CN=CC=C4
InChI
InChI=1S/C17H17N3O/c1-21-12-4-5-15-14(9-12)13-6-8-19-16(17(13)20-15)11-3-2-7-18-10-11/h2-5,7,9-10,16,19-20H,6,8H2,1H3
InChIKey
GHRUURUMXJZABQ-UHFFFAOYSA-N
Compound name
6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

279.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 165.7
[M+Na]+ 302.12640 181.0
[M+NH4]+ 297.17100 174.3
[M+K]+ 318.10034 174.4
[M-H]- 278.12990 169.1
[M+Na-2H]- 300.11185 172.8
[M]+ 279.13663 168.9
[M]- 279.13773 168.9
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