CID 480185

Chembl269032

Structural Information

Molecular Formula
C19H24N6
SMILES
C1CN(CCN(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
InChIKey
INGAEVQROKUCFW-UHFFFAOYSA-N
Compound name
4-[4-(4-carbamimidoylphenyl)-1,4-diazepan-1-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

336.20624 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21352 184.1
[M+Na]+ 359.19546 185.6
[M-H]- 335.19896 190.8
[M+NH4]+ 354.24006 192.1
[M+K]+ 375.16940 185.9
[M+H-H2O]+ 319.20350 172.7
[M+HCOO]- 381.20444 202.0
[M+CH3COO]- 395.22009 191.0
[M+Na-2H]- 357.18091 184.6
[M]+ 336.20569 171.1
[M]- 336.20679 171.1
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.