CID 3061265

Brn 4605338

Structural Information

Molecular Formula
C26H30N4O4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC(=C(C=C4[N+](=O)[O-])OC)OC
InChI
InChI=1S/C26H30N4O4/c1-19-4-8-22(9-5-19)28-12-14-29(15-13-28)23-10-6-21(7-11-23)27-18-20-16-25(33-2)26(34-3)17-24(20)30(31)32/h4-11,16-17,27H,12-15,18H2,1-3H3
InChIKey
TYDOYFDAOUJIPZ-UHFFFAOYSA-N
Compound name
N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[4-(4-methylphenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.2267 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23398 214.2
[M+Na]+ 485.21592 229.4
[M+NH4]+ 480.26052 220.2
[M+K]+ 501.18986 223.3
[M-H]- 461.21942 223.3
[M+Na-2H]- 483.20137 223.4
[M]+ 462.22615 218.9
[M]- 462.22725 218.9
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.