CID 3058313

74976-27-5

Structural Information

Molecular Formula
C12H18N4
SMILES
CN1CCN(CC1)C2=NC=C3CCNC3=C2
InChI
InChI=1S/C12H18N4/c1-15-4-6-16(7-5-15)12-8-11-10(9-14-12)2-3-13-11/h8-9,13H,2-7H2,1H3
InChIKey
DHGRGIUCOFEQNS-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 153.1
[M+Na]+ 241.142368 159.3
[M-H]- 217.145874 153.0
[M+NH4]+ 236.186973 167.8
[M+K]+ 257.116308 154.5
[M+H-H2O]+ 201.150410 143.0
[M+HCOO]- 263.151351 166.0
[M+CH3COO]- 277.167001 162.7
[M+Na-2H]- 239.127816 155.9
[M]+ 218.15260142 146.2
[M]- 218.15369858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.