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

4901
Patents

274.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 161.8
[M+Na]+ 297.132188 168.0
[M-H]- 273.135694 164.1
[M+NH4]+ 292.176793 175.1
[M+K]+ 313.106128 158.9
[M+H-H2O]+ 257.140230 157.0
[M+HCOO]- 319.141171 179.4
[M+CH3COO]- 333.156821 190.8
[M+Na-2H]- 295.117636 167.5
[M]+ 274.14242142 157.0
[M]- 274.14351858 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