CID 91809

Hc red no. 9

Structural Information

Molecular Formula
C15H15ClN4O2
SMILES
CC1=CC(=NC2=CC(=C(C=C2)NC)Cl)C(=CC1=O)NC(=O)N
InChI
InChI=1S/C15H15ClN4O2/c1-8-5-12(13(7-14(8)21)20-15(17)22)19-9-3-4-11(18-2)10(16)6-9/h3-7,18H,1-2H3,(H3,17,20,22)
InChIKey
WGLVXBPQHZHCAS-UHFFFAOYSA-N
Compound name
[6-[3-chloro-4-(methylamino)phenyl]imino-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

318.08835 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09563 173.1
[M+Na]+ 341.07757 184.5
[M+NH4]+ 336.12217 179.7
[M+K]+ 357.05151 177.8
[M-H]- 317.08107 178.5
[M+Na-2H]- 339.06302 179.6
[M]+ 318.08780 176.2
[M]- 318.08890 176.2
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