CID 3010934

764660-71-1

Structural Information

Molecular Formula
C19H22N6O2
SMILES
C1=CC(=CC=C1C(=N)N)NC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C19H22N6O2/c20-18(21)12-4-8-14(9-5-12)24-16(26)2-1-3-17(27)25-15-10-6-13(7-11-15)19(22)23/h4-11H,1-3H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27)
InChIKey
NXMXVZDGJTYBCO-UHFFFAOYSA-N
Compound name
N,N'-bis(4-carbamimidoylphenyl)pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

366.18042 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18770 186.9
[M+Na]+ 389.16964 187.9
[M-H]- 365.17314 192.1
[M+NH4]+ 384.21424 196.0
[M+K]+ 405.14358 184.6
[M+H-H2O]+ 349.17768 176.9
[M+HCOO]- 411.17862 211.4
[M+CH3COO]- 425.19427 233.5
[M+Na-2H]- 387.15509 186.8
[M]+ 366.17987 179.8
[M]- 366.18097 179.8
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.