CID 474723

Chembl50440

Structural Information

Molecular Formula
C18H18N6O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)N=C(N)N)N=C(N)N
InChI
InChI=1S/C18H18N6O/c19-17(20)23-13-5-1-11(2-6-13)15-9-10-16(25-15)12-3-7-14(8-4-12)24-18(21)22/h1-10H,(H4,19,20,23)(H4,21,22,24)
InChIKey
IFKOKKYJMCJYSF-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)phenyl]furan-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

334.1542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16148 179.2
[M+Na]+ 357.14342 183.8
[M-H]- 333.14692 191.0
[M+NH4]+ 352.18802 191.3
[M+K]+ 373.11736 180.9
[M+H-H2O]+ 317.15146 168.9
[M+HCOO]- 379.15240 208.3
[M+CH3COO]- 393.16805 228.2
[M+Na-2H]- 355.12887 181.1
[M]+ 334.15365 174.3
[M]- 334.15475 174.3
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.