CID 3019972

84604-35-3

Structural Information

Molecular Formula
C20H23ClN4O2
SMILES
CCN(CC)C1=C(C=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2)Cl
InChI
InChI=1S/C20H23ClN4O2/c1-4-25(5-2)18-12-11-16(13-17(18)21)23-24-19(14(3)26)20(27)22-15-9-7-6-8-10-15/h6-13,19H,4-5H2,1-3H3,(H,22,27)
InChIKey
GYMUHTPDPOAHMH-UHFFFAOYSA-N
Compound name
2-[[3-chloro-4-(diethylamino)phenyl]diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15094 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.158216 195.5
[M+Na]+ 409.140158 199.6
[M-H]- 385.143664 205.5
[M+NH4]+ 404.184763 208.2
[M+K]+ 425.114098 196.8
[M+H-H2O]+ 369.148200 186.0
[M+HCOO]- 431.149141 218.9
[M+CH3COO]- 445.164791 237.1
[M+Na-2H]- 407.125606 196.5
[M]+ 386.15039142 200.8
[M]- 386.15148858 200.8
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

No patent data available for this compound.