CID 65768

Nicotredole

Structural Information

Molecular Formula
C16H15N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3O/c20-16(13-4-3-8-17-10-13)18-9-7-12-11-19-15-6-2-1-5-14(12)15/h1-6,8,10-11,19H,7,9H2,(H,18,20)
InChIKey
ZDAZUJBASMCUAK-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

271
Patents

265.12152 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 159.3
[M+Na]+ 288.11074 167.0
[M-H]- 264.11424 163.2
[M+NH4]+ 283.15534 174.7
[M+K]+ 304.08468 161.1
[M+H-H2O]+ 248.11878 150.4
[M+HCOO]- 310.11972 181.4
[M+CH3COO]- 324.13537 170.6
[M+Na-2H]- 286.09619 166.1
[M]+ 265.12097 159.0
[M]- 265.12207 159.0
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