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]+ 371.17138 185.6
[M+Na]+ 393.15332 188.1
[M-H]- 369.15682 190.7
[M+NH4]+ 388.19792 192.4
[M+K]+ 409.12726 179.4
[M+H-H2O]+ 353.16136 179.1
[M+HCOO]- 415.16230 202.6
[M+CH3COO]- 429.17795 211.4
[M+Na-2H]- 391.13877 189.0
[M]+ 370.16355 179.5
[M]- 370.16465 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.