CID 135439748

305353-54-2

Structural Information

Molecular Formula
C16H15N5O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C3=CC=CC=C3N=N2)O
InChI
InChI=1S/C16H15N5O3/c1-24-15-8-11(6-7-14(15)22)9-17-19-16(23)10-21-13-5-3-2-4-12(13)18-20-21/h2-9,22H,10H2,1H3,(H,19,23)/b17-9+
InChIKey
DRZMFVKPWKMHBB-RQZCQDPDSA-N
Compound name
2-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.1175 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.124776 172.5
[M+Na]+ 348.106718 181.3
[M-H]- 324.110224 177.2
[M+NH4]+ 343.151323 184.6
[M+K]+ 364.080658 176.8
[M+H-H2O]+ 308.114760 162.2
[M+HCOO]- 370.115701 196.2
[M+CH3COO]- 384.131351 211.2
[M+Na-2H]- 346.092166 179.0
[M]+ 325.11695142 176.6
[M]- 325.11804858 176.6
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

No patent data available for this compound.