CID 60691

Besipirdine

Structural Information

Molecular Formula
C16H17N3
SMILES
CCCN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32
InChI
InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
InChIKey
OTPPJICEBWOCKD-UHFFFAOYSA-N
Compound name
N-propyl-N-pyridin-4-ylindol-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

684
Patents

251.14224 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 157.1
[M+Na]+ 274.131458 165.4
[M-H]- 250.134964 163.5
[M+NH4]+ 269.176063 174.5
[M+K]+ 290.105398 161.1
[M+H-H2O]+ 234.139500 147.5
[M+HCOO]- 296.140441 181.7
[M+CH3COO]- 310.156091 169.7
[M+Na-2H]- 272.116906 164.5
[M]+ 251.14169142 159.7
[M]- 251.14278858 159.7
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