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]+ 303.06435 176.3
[M+Na]+ 325.04629 186.2
[M-H]- 301.04979 180.5
[M+NH4]+ 320.09089 188.9
[M+K]+ 341.02023 179.9
[M+H-H2O]+ 285.05433 163.3
[M+HCOO]- 347.05527 192.9
[M+CH3COO]- 361.07092 216.6
[M+Na-2H]- 323.03174 177.9
[M]+ 302.05652 170.2
[M]- 302.05762 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.