CID 6482215

3,4,5-trimethoxy-n-(2-methylbenzotriazol-5-yl)benzamide

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CN1N=C2C=CC(=CC2=N1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C17H18N4O4/c1-21-19-12-6-5-11(9-13(12)20-21)18-17(22)10-7-14(23-2)16(25-4)15(8-10)24-3/h5-9H,1-4H3,(H,18,22)
InChIKey
NWBGGENIKJICOP-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-methylbenzotriazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 178.9
[M+Na]+ 365.12202 189.4
[M-H]- 341.12552 184.2
[M+NH4]+ 360.16662 191.2
[M+K]+ 381.09596 185.9
[M+H-H2O]+ 325.13006 169.0
[M+HCOO]- 387.13100 201.0
[M+CH3COO]- 401.14665 215.1
[M+Na-2H]- 363.10747 182.6
[M]+ 342.13225 186.9
[M]- 342.13335 186.9
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

No patent data available for this compound.