CID 4086562

154594-15-7

Structural Information

Molecular Formula
C10H10N4O
SMILES
CC(=O)NC1=CC=C(C=C1)N2C=NN=C2
InChI
InChI=1S/C10H10N4O/c1-8(15)13-9-2-4-10(5-3-9)14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKey
RBAFMDFJFDEJBG-UHFFFAOYSA-N
Compound name
N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

202.08546 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 142.6
[M+Na]+ 225.07468 151.0
[M-H]- 201.07818 145.8
[M+NH4]+ 220.11928 158.9
[M+K]+ 241.04862 148.1
[M+H-H2O]+ 185.08272 133.4
[M+HCOO]- 247.08366 165.6
[M+CH3COO]- 261.09931 185.5
[M+Na-2H]- 223.06013 148.8
[M]+ 202.08491 142.3
[M]- 202.08601 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe