CID 62054826

2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-n-(3,5-difluorophenyl)acetamide hydrochloride

Structural Information

Molecular Formula
C11H11F2N5O
SMILES
C1=C(C=C(C=C1F)F)NC(=O)CN2C=C(N=N2)CN
InChI
InChI=1S/C11H11F2N5O/c12-7-1-8(13)3-9(2-7)15-11(19)6-18-5-10(4-14)16-17-18/h1-3,5H,4,6,14H2,(H,15,19)
InChIKey
ZIAPHRFUJGATEV-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)triazol-1-yl]-N-(3,5-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09317 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10045 155.8
[M+Na]+ 290.08239 164.8
[M-H]- 266.08589 156.5
[M+NH4]+ 285.12699 169.3
[M+K]+ 306.05633 160.3
[M+H-H2O]+ 250.09043 144.7
[M+HCOO]- 312.09137 176.8
[M+CH3COO]- 326.10702 200.7
[M+Na-2H]- 288.06784 158.5
[M]+ 267.09262 152.9
[M]- 267.09372 152.9
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.