CID 480182

(1r,2r)-n1,n2-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]cyclopropane-1,2-dicarboxamide

Structural Information

Molecular Formula
C23H24N6O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)[C@@H]3C[C@H]3C(=O)NC4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C23H24N6O2/c30-22(28-16-5-1-14(2-6-16)20-24-9-10-25-20)18-13-19(18)23(31)29-17-7-3-15(4-8-17)21-26-11-12-27-21/h1-8,18-19H,9-13H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31)/t18-,19-/m1/s1
InChIKey
CTIFZAYADDLTTD-RTBURBONSA-N
Compound name
(1R,2R)-1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.19608 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20336 191.2
[M+Na]+ 439.18530 195.8
[M-H]- 415.18880 199.7
[M+NH4]+ 434.22990 192.3
[M+K]+ 455.15924 187.3
[M+H-H2O]+ 399.19334 181.4
[M+HCOO]- 461.19428 207.7
[M+CH3COO]- 475.20993 197.6
[M+Na-2H]- 437.17075 189.4
[M]+ 416.19553 187.1
[M]- 416.19663 187.1
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.