CID 5493001

Lg 259

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)13-15-12-16(4-7-18(15)24)20-19(25)14-2-5-17(6-3-14)23(26)27/h2-7,12,24H,8-11,13H2,1H3,(H,20,25)
InChIKey
XPZJSNCMERDPCW-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.171376 185.6
[M+Na]+ 393.153318 188.1
[M-H]- 369.156824 190.7
[M+NH4]+ 388.197923 192.4
[M+K]+ 409.127258 179.4
[M+H-H2O]+ 353.161360 179.1
[M+HCOO]- 415.162301 202.6
[M+CH3COO]- 429.177951 211.4
[M+Na-2H]- 391.138766 189.0
[M]+ 370.16355142 179.5
[M]- 370.16464858 179.5
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

No patent data available for this compound.