CID 419381

Nsc114382

Structural Information

Molecular Formula
C21H18N6O
SMILES
CC1=CC(=NC(=N1)C)NC2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C21H18N6O/c1-13-12-20(24-14(2)23-13)25-15-5-7-16(8-6-15)26-27-18-9-10-19(28)21-17(18)4-3-11-22-21/h3-12,28H,1-2H3,(H,23,24,25)
InChIKey
UUNGCXMWHCKSED-UHFFFAOYSA-N
Compound name
5-[[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]diazenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16148 189.9
[M+Na]+ 393.14342 198.7
[M-H]- 369.14692 198.4
[M+NH4]+ 388.18802 198.5
[M+K]+ 409.11736 191.7
[M+H-H2O]+ 353.15146 177.0
[M+HCOO]- 415.15240 213.4
[M+CH3COO]- 429.16805 199.6
[M+Na-2H]- 391.12887 198.7
[M]+ 370.15365 191.2
[M]- 370.15475 191.2
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

No patent data available for this compound.