CID 18887

3414-71-9

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CN1CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H18N4O2/c1-16-4-6-17(7-5-16)10-11-9-15-14-3-2-12(18(19)20)8-13(11)14/h2-3,8-9,15H,4-7,10H2,1H3
InChIKey
VGUWZCUCNQXGBU-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3865
Patents

274.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 160.5
[M+Na]+ 297.13219 173.8
[M+NH4]+ 292.17679 167.8
[M+K]+ 313.10613 171.6
[M-H]- 273.13569 164.0
[M+Na-2H]- 295.11764 166.1
[M]+ 274.14242 163.1
[M]- 274.14352 163.1
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