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

literature stripe

Patent stripe

patents stripe