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
1
Annotation Hits

0
References

10
Patents

253.09636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10364 152.3
[M+Na]+ 276.08558 160.5
[M-H]- 252.08908 155.5
[M+NH4]+ 271.13018 166.5
[M+K]+ 292.05952 155.1
[M+H-H2O]+ 236.09362 142.9
[M+HCOO]- 298.09456 175.2
[M+CH3COO]- 312.11021 163.7
[M+Na-2H]- 274.07103 161.6
[M]+ 253.09581 150.9
[M]- 253.09691 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