CID 3018029

Brn 0801145

Structural Information

Molecular Formula
C16H23N3
SMILES
CN1CCN(CC1)CCCN2C=CC3=CC=CC=C32
InChI
InChI=1S/C16H23N3/c1-17-11-13-18(14-12-17)8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3
InChIKey
UKRANZASIFTWQM-UHFFFAOYSA-N
Compound name
1-[3-(4-methylpiperazin-1-yl)propyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

257.1892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.19648 162.7
[M+Na]+ 280.17842 169.6
[M-H]- 256.18192 165.4
[M+NH4]+ 275.22302 178.2
[M+K]+ 296.15236 164.4
[M+H-H2O]+ 240.18646 152.6
[M+HCOO]- 302.18740 180.0
[M+CH3COO]- 316.20305 173.1
[M+Na-2H]- 278.16387 166.1
[M]+ 257.18865 161.3
[M]- 257.18975 161.3
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