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 161.8
[M+Na]+ 297.13219 168.0
[M-H]- 273.13569 164.1
[M+NH4]+ 292.17679 175.1
[M+K]+ 313.10613 158.9
[M+H-H2O]+ 257.14023 157.0
[M+HCOO]- 319.14117 179.4
[M+CH3COO]- 333.15682 190.8
[M+Na-2H]- 295.11764 167.5
[M]+ 274.14242 157.0
[M]- 274.14352 157.0
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