CID 175342

Einecs 277-144-8

Structural Information

Molecular Formula
C16H15ClN4O
SMILES
CC1=C(C=CC(=C1)NCCO)N=NC2=C(C=CC(=C2)Cl)C#N
InChI
InChI=1S/C16H15ClN4O/c1-11-8-14(19-6-7-22)4-5-15(11)20-21-16-9-13(17)3-2-12(16)10-18/h2-5,8-9,19,22H,6-7H2,1H3
InChIKey
IXOXJFDILDBSDX-UHFFFAOYSA-N
Compound name
4-chloro-2-[[4-(2-hydroxyethylamino)-2-methylphenyl]diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10072 177.9
[M+Na]+ 337.08266 188.2
[M-H]- 313.08616 184.3
[M+NH4]+ 332.12726 191.6
[M+K]+ 353.05660 181.7
[M+H-H2O]+ 297.09070 163.7
[M+HCOO]- 359.09164 197.7
[M+CH3COO]- 373.10729 224.3
[M+Na-2H]- 335.06811 181.5
[M]+ 314.09289 175.9
[M]- 314.09399 175.9
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.