CID 175244

Einecs 276-991-0

Structural Information

Molecular Formula
C23H21ClN6O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H21ClN6O5/c1-3-28(4-2)16-10-11-19(20(13-16)25-23(31)15-8-6-5-7-9-15)26-27-22-18(24)12-17(29(32)33)14-21(22)30(34)35/h5-14H,3-4H2,1-2H3,(H,25,31)
InChIKey
XLQOBJJPASQKHH-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

496.1262 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13348 219.5
[M+Na]+ 519.11542 220.2
[M-H]- 495.11892 230.9
[M+NH4]+ 514.16002 224.6
[M+K]+ 535.08936 209.5
[M+H-H2O]+ 479.12346 216.4
[M+HCOO]- 541.12440 244.1
[M+CH3COO]- 555.14005 243.4
[M+Na-2H]- 517.10087 224.5
[M]+ 496.12565 221.0
[M]- 496.12675 221.0
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

patents stripe