CID 3010935

N,n'-bis(4-carbamimidoylphenyl)hexanediamide

Structural Information

Molecular Formula
C20H24N6O2
SMILES
C1=CC(=CC=C1C(=N)N)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C20H24N6O2/c21-19(22)13-5-9-15(10-6-13)25-17(27)3-1-2-4-18(28)26-16-11-7-14(8-12-16)20(23)24/h5-12H,1-4H2,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)
InChIKey
ZZPHAHIOVYSONT-UHFFFAOYSA-N
Compound name
N,N'-bis(4-carbamimidoylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

380.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20336 191.0
[M+Na]+ 403.18530 191.6
[M-H]- 379.18880 196.0
[M+NH4]+ 398.22990 199.5
[M+K]+ 419.15924 188.1
[M+H-H2O]+ 363.19334 180.9
[M+HCOO]- 425.19428 215.2
[M+CH3COO]- 439.20993 236.4
[M+Na-2H]- 401.17075 190.5
[M]+ 380.19553 184.3
[M]- 380.19663 184.3
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