CID 11617693

Chembl377869

Structural Information

Molecular Formula
C19H21F2N5O
SMILES
CN(CC1=CC=C(C=C1)N)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C19H21F2N5O/c1-25(9-14-2-5-16(22)6-3-14)10-19(27,11-26-13-23-12-24-26)17-7-4-15(20)8-18(17)21/h2-8,12-13,27H,9-11,22H2,1H3
InChIKey
VHJQQKYALMQTIA-UHFFFAOYSA-N
Compound name
1-[(4-aminophenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.17142 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17870 186.5
[M+Na]+ 396.16064 193.1
[M-H]- 372.16414 189.8
[M+NH4]+ 391.20524 195.2
[M+K]+ 412.13458 187.2
[M+H-H2O]+ 356.16868 173.9
[M+HCOO]- 418.16962 204.2
[M+CH3COO]- 432.18527 222.2
[M+Na-2H]- 394.14609 188.6
[M]+ 373.17087 184.2
[M]- 373.17197 184.2
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

No patent data available for this compound.