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]+ 333.192116 181.4
[M+Na]+ 355.174058 187.3
[M-H]- 331.177564 184.2
[M+NH4]+ 350.218663 192.5
[M+K]+ 371.147998 184.6
[M+H-H2O]+ 315.182100 171.9
[M+HCOO]- 377.183041 200.1
[M+CH3COO]- 391.198691 209.8
[M+Na-2H]- 353.159506 187.2
[M]+ 332.18429142 185.7
[M]- 332.18538858 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