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

literature stripe

Patent stripe

patents stripe