CID 9577943

92929-94-7

Structural Information

Molecular Formula
C17H24N4O3
SMILES
CC(C)(C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)/C=N/OC)O
InChI
InChI=1S/C17H24N4O3/c1-16(2,3)17(22,10-21-13-18-12-19-21)11-24-15-7-5-14(6-8-15)9-20-23-4/h5-9,12-13,22H,10-11H2,1-4H3/b20-9+
InChIKey
ARVBIHYXZWVWQZ-AWQFTUOYSA-N
Compound name
1-[4-[(E)-methoxyiminomethyl]phenoxy]-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.18484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19212 181.4
[M+Na]+ 355.17406 187.3
[M-H]- 331.17756 184.2
[M+NH4]+ 350.21866 192.5
[M+K]+ 371.14800 184.6
[M+H-H2O]+ 315.18210 171.9
[M+HCOO]- 377.18304 200.1
[M+CH3COO]- 391.19869 209.8
[M+Na-2H]- 353.15951 187.2
[M]+ 332.18429 185.7
[M]- 332.18539 185.7
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

patents stripe