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

11
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

literature stripe

Patent stripe

patents stripe