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 157.9
[M+Na]+ 276.14712 166.4
[M-H]- 252.15062 162.3
[M+NH4]+ 271.19172 176.1
[M+K]+ 292.12106 160.5
[M+H-H2O]+ 236.15516 149.7
[M+HCOO]- 298.15610 181.5
[M+CH3COO]- 312.17175 170.0
[M+Na-2H]- 274.13257 162.2
[M]+ 253.15735 158.9
[M]- 253.15845 158.9
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.