CID 75325

Disperse blue 183

Structural Information

Molecular Formula
C20H21BrN6O3
SMILES
CCC(=O)NC1=C(C=CC(=C1)N(CC)CC)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H21BrN6O3/c1-4-19(28)23-18-11-14(26(5-2)6-3)7-8-17(18)24-25-20-13(12-22)9-15(27(29)30)10-16(20)21/h7-11H,4-6H2,1-3H3,(H,23,28)
InChIKey
IGUCIQQRHZUQKG-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

148
Patents

472.08585 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.09313 207.5
[M+Na]+ 495.07507 215.1
[M-H]- 471.07857 215.4
[M+NH4]+ 490.11967 216.9
[M+K]+ 511.04901 200.4
[M+H-H2O]+ 455.08311 197.9
[M+HCOO]- 517.08405 230.8
[M+CH3COO]- 531.09970 247.7
[M+Na-2H]- 493.06052 209.3
[M]+ 472.08530 220.3
[M]- 472.08640 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe