CID 94084

Einecs 261-290-4

Structural Information

Molecular Formula
C18H19ClN4O2
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=CC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C18H19ClN4O2/c1-13-10-16(23(6-8-24)7-9-25)4-5-18(13)22-21-15-3-2-14(12-20)17(19)11-15/h2-5,10-11,24-25H,6-9H2,1H3
InChIKey
AZLVLRPFHNHJOR-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-2-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

358.11966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12694 188.6
[M+Na]+ 381.10888 197.6
[M-H]- 357.11238 194.8
[M+NH4]+ 376.15348 200.6
[M+K]+ 397.08282 192.0
[M+H-H2O]+ 341.11692 174.0
[M+HCOO]- 403.11786 207.2
[M+CH3COO]- 417.13351 232.3
[M+Na-2H]- 379.09433 190.4
[M]+ 358.11911 188.0
[M]- 358.12021 188.0
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

No patent data available for this compound.