CID 3000768

Benzenecarboximidamide, 4,4'-(1h-pyrrole-2,5-diyl)bis-

Structural Information

Molecular Formula
C18H17N5
SMILES
C1=CC(=CC=C1C2=CC=C(N2)C3=CC=C(C=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C18H17N5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10,23H,(H3,19,20)(H3,21,22)
InChIKey
NLYYZWPKTIYUOI-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

303.1484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 169.7
[M+Na]+ 326.13762 174.7
[M-H]- 302.14112 176.7
[M+NH4]+ 321.18222 182.2
[M+K]+ 342.11156 168.0
[M+H-H2O]+ 286.14566 160.6
[M+HCOO]- 348.14660 193.4
[M+CH3COO]- 362.16225 179.4
[M+Na-2H]- 324.12307 171.1
[M]+ 303.14785 161.4
[M]- 303.14895 161.4
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