CID 2760034

5-(4-methylpiperazin-1-yl)-2-nitroaniline

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
InChIKey
MWLBMGPQZJDFKZ-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

357
Patents

236.12732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 151.9
[M+Na]+ 259.116538 157.2
[M-H]- 235.120044 155.3
[M+NH4]+ 254.161143 165.5
[M+K]+ 275.090478 150.1
[M+H-H2O]+ 219.124580 147.7
[M+HCOO]- 281.125521 171.9
[M+CH3COO]- 295.141171 188.3
[M+Na-2H]- 257.101986 157.5
[M]+ 236.12677142 144.9
[M]- 236.12786858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe