CID 487976

Mmv688179

Structural Information

Molecular Formula
C18H16Cl2N6O
SMILES
C1=CC(=C(C=C1N=C(N)N)Cl)C2=CC=C(O2)C3=C(C=C(C=C3)N=C(N)N)Cl
InChI
InChI=1S/C18H16Cl2N6O/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24/h1-8H,(H4,21,22,25)(H4,23,24,26)
InChIKey
SEUQKSILENGZBY-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[5-[2-chloro-4-(diaminomethylideneamino)phenyl]furan-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

402.07626 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08354 204.3
[M+Na]+ 425.06548 211.8
[M-H]- 401.06898 215.4
[M+NH4]+ 420.11008 215.6
[M+K]+ 441.03942 206.1
[M+H-H2O]+ 385.07352 195.8
[M+HCOO]- 447.07446 223.6
[M+CH3COO]- 461.09011 237.8
[M+Na-2H]- 423.05093 202.4
[M]+ 402.07571 204.3
[M]- 402.07681 204.3
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