CID 120132

29103-26-2

Structural Information

Molecular Formula
C28H24ClN5O3
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C28H24ClN5O3/c1-20(35)30-28-17-23(12-15-27(28)32-31-26-14-13-24(34(36)37)16-25(26)29)33(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,30,35)
InChIKey
SCRGECFFDXXVEK-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(dibenzylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.15674 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.16402 226.4
[M+Na]+ 536.14596 228.0
[M-H]- 512.14946 240.8
[M+NH4]+ 531.19056 231.4
[M+K]+ 552.11990 219.1
[M+H-H2O]+ 496.15400 217.3
[M+HCOO]- 558.15494 250.6
[M+CH3COO]- 572.17059 252.3
[M+Na-2H]- 534.13141 230.5
[M]+ 513.15619 228.7
[M]- 513.15729 228.7
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.