CID 3023169

Einecs 301-159-1

Structural Information

Molecular Formula
C18H19ClN4
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)C#N)Cl)C
InChI
InChI=1S/C18H19ClN4/c1-4-23(5-2)15-7-9-17(13(3)10-15)21-22-18-8-6-14(12-20)11-16(18)19/h6-11H,4-5H2,1-3H3
InChIKey
XFWHVVCCAFALIU-UHFFFAOYSA-N
Compound name
3-chloro-4-[[4-(diethylamino)-2-methylphenyl]diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.137096 183.3
[M+Na]+ 349.119038 193.4
[M-H]- 325.122544 191.8
[M+NH4]+ 344.163643 197.8
[M+K]+ 365.092978 187.7
[M+H-H2O]+ 309.127080 168.3
[M+HCOO]- 371.128021 204.0
[M+CH3COO]- 385.143671 232.8
[M+Na-2H]- 347.104486 185.6
[M]+ 326.12927142 183.4
[M]- 326.13036858 183.4
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.