CID 3007926

Schembl6751883

Structural Information

Molecular Formula
C22H26N6O3
SMILES
CCOC1=C(C=CC(=C1)N=C(N)N)C2=CC=C(O2)C3=C(C=C(C=C3)N=C(N)N)OCC
InChI
InChI=1S/C22H26N6O3/c1-3-29-19-11-13(27-21(23)24)5-7-15(19)17-9-10-18(31-17)16-8-6-14(28-22(25)26)12-20(16)30-4-2/h5-12H,3-4H2,1-2H3,(H4,23,24,27)(H4,25,26,28)
InChIKey
ZTMJSJCROKAUCS-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)-2-ethoxyphenyl]furan-2-yl]-3-ethoxyphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

422.20663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21391 204.6
[M+Na]+ 445.19585 208.6
[M-H]- 421.19935 216.3
[M+NH4]+ 440.24045 213.4
[M+K]+ 461.16979 206.7
[M+H-H2O]+ 405.20389 193.4
[M+HCOO]- 467.20483 232.5
[M+CH3COO]- 481.22048 247.3
[M+Na-2H]- 443.18130 203.3
[M]+ 422.20608 204.4
[M]- 422.20718 204.4
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