CID 489130

2-(2,4-difluorophenyl)-3-(diprop-2-enylamino)-1-(1,2,4-triazolyl)butan-2-ol

Structural Information

Molecular Formula
C18H22F2N4O
SMILES
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CC=C)CC=C
InChI
InChI=1S/C18H22F2N4O/c1-4-8-23(9-5-2)14(3)18(25,11-24-13-21-12-22-24)16-7-6-15(19)10-17(16)20/h4-7,10,12-14,25H,1-2,8-9,11H2,3H3
InChIKey
IHMGGEZYCSCCTB-UHFFFAOYSA-N
Compound name
3-[bis(prop-2-enyl)amino]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.17618 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18346 183.0
[M+Na]+ 371.16540 189.1
[M-H]- 347.16890 183.0
[M+NH4]+ 366.21000 193.3
[M+K]+ 387.13934 183.8
[M+H-H2O]+ 331.17344 171.5
[M+HCOO]- 393.17438 198.7
[M+CH3COO]- 407.19003 216.8
[M+Na-2H]- 369.15085 182.9
[M]+ 348.17563 181.9
[M]- 348.17673 181.9
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.