CID 198831

1h-1,2,4-triazole, 5-(p-ureidophenyl)-

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC(=CC=C1C2=NC=NN2)NC(=O)N
InChI
InChI=1S/C9H9N5O/c10-9(15)13-7-3-1-6(2-4-7)8-11-5-12-14-8/h1-5H,(H3,10,13,15)(H,11,12,14)
InChIKey
FMJKXQFSKJQESD-UHFFFAOYSA-N
Compound name
[4-(1H-1,2,4-triazol-5-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0807 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 141.6
[M+Na]+ 226.06992 149.1
[M-H]- 202.07342 143.3
[M+NH4]+ 221.11452 156.5
[M+K]+ 242.04386 145.2
[M+H-H2O]+ 186.07796 132.5
[M+HCOO]- 248.07890 163.9
[M+CH3COO]- 262.09455 184.5
[M+Na-2H]- 224.05537 147.6
[M]+ 203.08015 137.5
[M]- 203.08125 137.5
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