CID 112426

Einecs 274-697-7

Structural Information

Molecular Formula
C18H20ClN5O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C
InChI
InChI=1S/C18H20ClN5O3/c1-4-23(5-2)13-6-9-17(18(11-13)20-12(3)25)22-21-16-8-7-14(24(26)27)10-15(16)19/h6-11H,4-5H2,1-3H3,(H,20,25)
InChIKey
ALRWCCVYBUUROI-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

389.12546 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13274 193.7
[M+Na]+ 412.11468 198.4
[M-H]- 388.11818 203.8
[M+NH4]+ 407.15928 205.6
[M+K]+ 428.08862 191.7
[M+H-H2O]+ 372.12272 188.8
[M+HCOO]- 434.12366 219.7
[M+CH3COO]- 448.13931 231.4
[M+Na-2H]- 410.10013 197.7
[M]+ 389.12491 197.8
[M]- 389.12601 197.8
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