CID 4215041

289487-79-2

Structural Information

Molecular Formula
C16H19N3
SMILES
CN1C=CC=C1CNCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3
InChIKey
JMDFJNUSALBEDM-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 159.3
[M+Na]+ 276.14712 172.1
[M+NH4]+ 271.19172 167.8
[M+K]+ 292.12106 167.6
[M-H]- 252.15062 162.9
[M+Na-2H]- 274.13257 166.8
[M]+ 253.15735 162.1
[M]- 253.15845 162.1
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

No patent data available for this compound.