CID 147929

125880-82-2

Structural Information

Molecular Formula
C18H24N6
SMILES
C1=CC(=CC=C1C(=N)N)NCCCCNC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C18H24N6/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10,23-24H,1-2,11-12H2,(H3,19,20)(H3,21,22)
InChIKey
XPYWKLXCKKLGSB-UHFFFAOYSA-N
Compound name
4-[4-(4-carbamimidoylanilino)butylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

324.20624 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21352 175.4
[M+Na]+ 347.19546 177.1
[M-H]- 323.19896 180.5
[M+NH4]+ 342.24006 186.5
[M+K]+ 363.16940 172.3
[M+H-H2O]+ 307.20350 165.7
[M+HCOO]- 369.20444 201.4
[M+CH3COO]- 383.22009 226.7
[M+Na-2H]- 345.18091 178.2
[M]+ 324.20569 168.0
[M]- 324.20679 168.0
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.