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]+ 204.087976 141.6
[M+Na]+ 226.069918 149.1
[M-H]- 202.073424 143.3
[M+NH4]+ 221.114523 156.5
[M+K]+ 242.043858 145.2
[M+H-H2O]+ 186.077960 132.5
[M+HCOO]- 248.078901 163.9
[M+CH3COO]- 262.094551 184.5
[M+Na-2H]- 224.055366 147.6
[M]+ 203.08015142 137.5
[M]- 203.08124858 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