CID 5078075

Disperse black 4 (c.i. 11220)

Structural Information

Molecular Formula
C18H24N4O3
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C18H24N4O3/c1-13-11-15(22(7-9-23)8-10-24)4-6-16(13)20-21-17-5-3-14(19)12-18(17)25-2/h3-6,11-12,23-24H,7-10,19H2,1-2H3
InChIKey
NDLYMLYUXCQTLP-UHFFFAOYSA-N
Compound name
2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.18484 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 181.8
[M+Na]+ 367.17406 186.9
[M-H]- 343.17756 189.5
[M+NH4]+ 362.21866 194.5
[M+K]+ 383.14800 184.8
[M+H-H2O]+ 327.18210 171.9
[M+HCOO]- 389.18304 209.4
[M+CH3COO]- 403.19869 226.9
[M+Na-2H]- 365.15951 184.7
[M]+ 344.18429 184.6
[M]- 344.18539 184.6
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