CID 16073710

1,2-cyclopropanedicarboxamide, n,n'-bis[4-[[(4,5-dihydro-1h-imidazol-2-yl)amino]iminomethyl]phenyl]-

Structural Information

Molecular Formula
C25H28N10O2
SMILES
C1NC(=NC1)/N=C(\N)/C2=CC=C(C=C2)NC(=O)C3C(C3)C(=O)NC4=CC=C(C=C4)/C(=N/C5=NCCN5)/N
InChI
InChI=1S/C25H28N10O2/c26-20(34-24-28-9-10-29-24)14-1-5-16(6-2-14)32-22(36)18-13-19(18)23(37)33-17-7-3-15(4-8-17)21(27)35-25-30-11-12-31-25/h1-8,18-19H,9-13H2,(H,32,36)(H,33,37)(H3,26,28,29,34)(H3,27,30,31,35)
InChIKey
ZXGJIMFHEPNBSV-UHFFFAOYSA-N
Compound name
1-N,2-N-bis[4-[(Z)-N'-(4,5-dihydro-1H-imidazol-2-yl)carbamimidoyl]phenyl]cyclopropane-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.2397 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.24698 198.3
[M+Na]+ 523.22892 199.8
[M-H]- 499.23242 209.1
[M+NH4]+ 518.27352 196.4
[M+K]+ 539.20286 192.7
[M+H-H2O]+ 483.23696 189.1
[M+HCOO]- 545.23790 218.9
[M+CH3COO]- 559.25355 203.5
[M+Na-2H]- 521.21437 198.4
[M]+ 500.23915 192.6
[M]- 500.24025 192.6
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.