CID 11538185

N-(2-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxy-acetamide

Structural Information

Molecular Formula
C18H18N6O4
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C
InChI
InChI=1S/C18H18N6O4/c1-11-8-12(2)17(13(3)9-11)23-18(20-21-22-23)28-10-16(25)19-14-6-4-5-7-15(14)24(26)27/h4-9H,10H2,1-3H3,(H,19,25)
InChIKey
NJBNHTSWGSRBAD-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.13895 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14623 187.8
[M+Na]+ 405.12817 194.6
[M-H]- 381.13167 193.9
[M+NH4]+ 400.17277 194.5
[M+K]+ 421.10211 186.0
[M+H-H2O]+ 365.13621 180.6
[M+HCOO]- 427.13715 208.9
[M+CH3COO]- 441.15280 216.3
[M+Na-2H]- 403.11362 192.5
[M]+ 382.13840 189.1
[M]- 382.13950 189.1
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.