CID 89881183

Metyltetraprole

Structural Information

Molecular Formula
C19H17ClN6O2
SMILES
CC1=C(C(=CC=C1)N2C(=O)N(N=N2)C)COC3=NN(C=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN6O2/c1-13-4-3-5-17(26-19(27)24(2)22-23-26)16(13)12-28-18-10-11-25(21-18)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3
InChIKey
XUQQRGKFXLAPNV-UHFFFAOYSA-N
Compound name
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3297
Patents

396.11014 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11742 190.7
[M+Na]+ 419.09936 208.8
[M+NH4]+ 414.14396 196.0
[M+K]+ 435.07330 204.7
[M-H]- 395.10286 195.0
[M+Na-2H]- 417.08481 201.0
[M]+ 396.10959 194.8
[M]- 396.11069 194.8
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

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