CID 16728646

Chembl241477

Structural Information

Molecular Formula
C19H22ClFN4O
SMILES
CC(C)C/C(=N\N=C(N)N)/C1=C(C=CC(=C1)Cl)OCC2=CC=C(C=C2)F
InChI
InChI=1S/C19H22ClFN4O/c1-12(2)9-17(24-25-19(22)23)16-10-14(20)5-8-18(16)26-11-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H4,22,23,25)/b24-17+
InChIKey
FAEXFYFMKLSXBK-JJIBRWJFSA-N
Compound name
2-[(E)-[1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-3-methylbutylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1466 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15388 192.4
[M+Na]+ 399.13582 197.7
[M-H]- 375.13932 199.0
[M+NH4]+ 394.18042 204.9
[M+K]+ 415.10976 192.6
[M+H-H2O]+ 359.14386 182.8
[M+HCOO]- 421.14480 212.9
[M+CH3COO]- 435.16045 232.4
[M+Na-2H]- 397.12127 191.1
[M]+ 376.14605 192.8
[M]- 376.14715 192.8
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.