CID 461833

2,4-bis(((3-(4,5-dihydro-1h-imidazol-2-yl)anilino)carbonyl)amino)-n-methylbenzamide

Structural Information

Molecular Formula
C28H29N9O3
SMILES
CNC(=O)C1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=CC(=C4)C5=NCCN5
InChI
InChI=1S/C28H29N9O3/c1-29-26(38)22-10-9-21(36-27(39)34-19-7-5-17(6-8-19)24-30-11-12-31-24)16-23(22)37-28(40)35-20-4-2-3-18(15-20)25-32-13-14-33-25/h2-10,15-16H,11-14H2,1H3,(H,29,38)(H,30,31)(H,32,33)(H2,34,36,39)(H2,35,37,40)
InChIKey
ZEKKUAMIQLQIQP-UHFFFAOYSA-N
Compound name
2-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2393 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.24658 211.1
[M+Na]+ 562.22852 210.2
[M-H]- 538.23202 220.5
[M+NH4]+ 557.27312 210.4
[M+K]+ 578.20246 204.6
[M+H-H2O]+ 522.23656 198.7
[M+HCOO]- 584.23750 228.7
[M+CH3COO]- 598.25315 215.2
[M+Na-2H]- 560.21397 212.0
[M]+ 539.23875 204.0
[M]- 539.23985 204.0
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.