CID 71512108

Hl-156a free base

Structural Information

Molecular Formula
C13H16F3N5O
SMILES
C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/N
InChI
InChI=1S/C13H16F3N5O/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21/h3-6H,1-2,7-8H2,(H4,17,18,19,20)
InChIKey
NGFUHJWVBKTNOE-UHFFFAOYSA-N
Compound name
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

315.1307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13798 166.6
[M+Na]+ 338.11992 170.6
[M-H]- 314.12342 169.4
[M+NH4]+ 333.16452 180.7
[M+K]+ 354.09386 168.2
[M+H-H2O]+ 298.12796 155.0
[M+HCOO]- 360.12890 187.7
[M+CH3COO]- 374.14455 214.6
[M+Na-2H]- 336.10537 167.9
[M]+ 315.13015 157.7
[M]- 315.13125 157.7
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

No patent data available for this compound.