CID 490706

Schembl12085588

Structural Information

Molecular Formula
C22H32N6
SMILES
C1=CC(=CC=C1CNCCCCCCNCC2=CC=C(C=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C22H32N6/c23-21(24)19-9-5-17(6-10-19)15-27-13-3-1-2-4-14-28-16-18-7-11-20(12-8-18)22(25)26/h5-12,27-28H,1-4,13-16H2,(H3,23,24)(H3,25,26)
InChIKey
UEZOXVICTRLZCF-UHFFFAOYSA-N
Compound name
4-[[6-[(4-carbamimidoylphenyl)methylamino]hexylamino]methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

380.26886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.27614 191.7
[M+Na]+ 403.25808 191.6
[M-H]- 379.26158 196.0
[M+NH4]+ 398.30268 200.6
[M+K]+ 419.23202 186.1
[M+H-H2O]+ 363.26612 181.3
[M+HCOO]- 425.26706 216.4
[M+CH3COO]- 439.28271 238.5
[M+Na-2H]- 401.24353 192.7
[M]+ 380.26831 185.7
[M]- 380.26941 185.7
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