CID 414512

Uia9gr7n73

Structural Information

Molecular Formula
C26H25N7O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C26H25N7O2/c27-20-14-18(25(34)32-21-5-1-16(2-6-21)23-28-9-10-29-23)13-19(15-20)26(35)33-22-7-3-17(4-8-22)24-30-11-12-31-24/h1-8,13-15H,9-12,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKey
LTFQJWITYVCSPS-UHFFFAOYSA-N
Compound name
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.20697 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21425 202.0
[M+Na]+ 490.19619 204.1
[M-H]- 466.19969 210.7
[M+NH4]+ 485.24079 204.4
[M+K]+ 506.17013 196.4
[M+H-H2O]+ 450.20423 189.8
[M+HCOO]- 512.20517 218.0
[M+CH3COO]- 526.22082 207.5
[M+Na-2H]- 488.18164 200.4
[M]+ 467.20642 194.2
[M]- 467.20752 194.2
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.