CID 57495019

Chfbecmqotxytm-uhfffaoysa-n

Structural Information

Molecular Formula
C14H11ClN4O2
SMILES
C1=CC(=C(C=C1N)O)NC(=O)NC2=CC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C14H11ClN4O2/c15-11-6-10(3-1-8(11)7-16)18-14(21)19-12-4-2-9(17)5-13(12)20/h1-6,20H,17H2,(H2,18,19,21)
InChIKey
CHFBECMQOTXYTM-UHFFFAOYSA-N
Compound name
1-(4-amino-2-hydroxyphenyl)-3-(3-chloro-4-cyanophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05707 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.064346 176.3
[M+Na]+ 325.046288 186.2
[M-H]- 301.049794 180.5
[M+NH4]+ 320.090893 188.9
[M+K]+ 341.020228 179.9
[M+H-H2O]+ 285.054330 163.3
[M+HCOO]- 347.055271 192.9
[M+CH3COO]- 361.070921 216.6
[M+Na-2H]- 323.031736 177.9
[M]+ 302.05652142 170.2
[M]- 302.05761858 170.2
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

No patent data available for this compound.