CID 5746390

74976-33-3

Structural Information

Molecular Formula
C13H17ClN4
SMILES
CN1CCN(CC1)CC2=CNC3=CC(=NC=C32)Cl
InChI
InChI=1S/C13H17ClN4/c1-17-2-4-18(5-3-17)9-10-7-15-12-6-13(14)16-8-11(10)12/h6-8,15H,2-5,9H2,1H3
InChIKey
AHKPKCJWCKWOID-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

264.11417 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12145 161.3
[M+Na]+ 287.10339 170.6
[M-H]- 263.10689 161.7
[M+NH4]+ 282.14799 175.5
[M+K]+ 303.07733 163.6
[M+H-H2O]+ 247.11143 151.4
[M+HCOO]- 309.11237 171.9
[M+CH3COO]- 323.12802 171.3
[M+Na-2H]- 285.08884 164.3
[M]+ 264.11362 159.8
[M]- 264.11472 159.8
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

patents stripe