CID 6482208

Dtxsid501030362

Structural Information

Molecular Formula
C22H26N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=NN(N=C3C=C2)C4CCCCC4
InChI
InChI=1S/C22H26N4O4/c1-28-19-11-14(12-20(29-2)21(19)30-3)22(27)23-15-9-10-17-18(13-15)25-26(24-17)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,23,27)
InChIKey
RBEIMXDRSUXWIH-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20268 197.8
[M+Na]+ 433.18462 204.0
[M-H]- 409.18812 204.5
[M+NH4]+ 428.22922 206.2
[M+K]+ 449.15856 199.6
[M+H-H2O]+ 393.19266 186.1
[M+HCOO]- 455.19360 215.0
[M+CH3COO]- 469.20925 226.9
[M+Na-2H]- 431.17007 198.3
[M]+ 410.19485 200.5
[M]- 410.19595 200.5
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.