CID 87806

Urea, n-1h-benzotriazol-5-yl-n'-phenyl-

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC3=NNN=C3C=C2
InChI
InChI=1S/C13H11N5O/c19-13(14-9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)17-18-16-11/h1-8H,(H2,14,15,19)(H,16,17,18)
InChIKey
POZVYOVYIZCFLB-UHFFFAOYSA-N
Compound name
1-(2H-benzotriazol-5-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

253.09636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.103636 152.3
[M+Na]+ 276.085578 160.5
[M-H]- 252.089084 155.5
[M+NH4]+ 271.130183 166.5
[M+K]+ 292.059518 155.1
[M+H-H2O]+ 236.093620 142.9
[M+HCOO]- 298.094561 175.2
[M+CH3COO]- 312.110211 163.7
[M+Na-2H]- 274.071026 161.6
[M]+ 253.09581142 150.9
[M]- 253.09690858 150.9
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