CID 9556304

Nsc690241

Structural Information

Molecular Formula
C23H26N10
SMILES
C1CNC(=NC1)N/N=C/C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)/C=N/NC5=NCCCN5
InChI
InChI=1S/C23H26N10/c1-9-24-22(25-10-1)31-28-13-17-3-6-19(7-4-17)20-16-33-15-18(5-8-21(33)30-20)14-29-32-23-26-11-2-12-27-23/h3-8,13-16H,1-2,9-12H2,(H2,24,25,31)(H2,26,27,32)/b28-13+,29-14+
InChIKey
MJQOADGXZXEZLD-JOFLXYQRSA-N
Compound name
N-[(E)-[4-[6-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24148 196.0
[M+Na]+ 465.22342 199.6
[M-H]- 441.22692 201.3
[M+NH4]+ 460.26802 197.6
[M+K]+ 481.19736 189.9
[M+H-H2O]+ 425.23146 181.2
[M+HCOO]- 487.23240 212.5
[M+CH3COO]- 501.24805 201.2
[M+Na-2H]- 463.20887 203.7
[M]+ 442.23365 188.8
[M]- 442.23475 188.8
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.