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]+ 326.12478 172.5
[M+Na]+ 348.10672 181.3
[M-H]- 324.11022 177.2
[M+NH4]+ 343.15132 184.6
[M+K]+ 364.08066 176.8
[M+H-H2O]+ 308.11476 162.2
[M+HCOO]- 370.11570 196.2
[M+CH3COO]- 384.13135 211.2
[M+Na-2H]- 346.09217 179.0
[M]+ 325.11695 176.6
[M]- 325.11805 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.