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

literature stripe

Patent stripe

patents stripe