CID 147928

125880-81-1

Structural Information

Molecular Formula
C17H22N6
SMILES
C1=CC(=CC=C1C(=N)N)NCCCNC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C17H22N6/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9,22-23H,1,10-11H2,(H3,18,19)(H3,20,21)
InChIKey
ULZAPTUUAYXQCK-UHFFFAOYSA-N
Compound name
4-[3-(4-carbamimidoylanilino)propylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

310.19058 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19786 171.2
[M+Na]+ 333.17980 173.4
[M-H]- 309.18330 176.5
[M+NH4]+ 328.22440 183.0
[M+K]+ 349.15374 168.8
[M+H-H2O]+ 293.18784 161.7
[M+HCOO]- 355.18878 197.6
[M+CH3COO]- 369.20443 223.7
[M+Na-2H]- 331.16525 174.5
[M]+ 310.19003 163.6
[M]- 310.19113 163.6
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

No patent data available for this compound.