CID 416062

Nsc75547

Structural Information

Molecular Formula
C22H24N6O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)CCC(=O)NC3=CC=C(C=C3)C4=NCCN4
InChI
InChI=1S/C22H24N6O2/c29-19(27-17-5-1-15(2-6-17)21-23-11-12-24-21)9-10-20(30)28-18-7-3-16(4-8-18)22-25-13-14-26-22/h1-8H,9-14H2,(H,23,24)(H,25,26)(H,27,29)(H,28,30)
InChIKey
VEZQCFGYSWIXSE-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

404.19608 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 190.9
[M+Na]+ 427.18530 192.8
[M-H]- 403.18880 196.0
[M+NH4]+ 422.22990 196.4
[M+K]+ 443.15924 186.2
[M+H-H2O]+ 387.19334 179.0
[M+HCOO]- 449.19428 206.6
[M+CH3COO]- 463.20993 197.1
[M+Na-2H]- 425.17075 189.8
[M]+ 404.19553 184.6
[M]- 404.19663 184.6
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