CID 9576885

Dfpa

Structural Information

Molecular Formula
C12H17F2N5
SMILES
C1=CC=C(C=C1)/C(=N\NC(=NCCCN)N)/C(F)F
InChI
InChI=1S/C12H17F2N5/c13-11(14)10(9-5-2-1-3-6-9)18-19-12(16)17-8-4-7-15/h1-3,5-6,11H,4,7-8,15H2,(H3,16,17,19)/b18-10+
InChIKey
MPBKAOHKPAKJDA-VCHYOVAHSA-N
Compound name
2-(3-aminopropyl)-1-[(E)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

197
Patents

269.1452 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15248 160.3
[M+Na]+ 292.13442 163.0
[M-H]- 268.13792 162.2
[M+NH4]+ 287.17902 175.3
[M+K]+ 308.10836 161.1
[M+H-H2O]+ 252.14246 149.6
[M+HCOO]- 314.14340 185.8
[M+CH3COO]- 328.15905 213.8
[M+Na-2H]- 290.11987 162.4
[M]+ 269.14465 153.4
[M]- 269.14575 153.4
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

patents stripe