CID 93347

63690-09-5

Structural Information

Molecular Formula
C15H16N4
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C15H16N4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
InChIKey
FTMSARBDCMBEPC-UHFFFAOYSA-N
Compound name
4-[(4-carbamimidoylphenyl)methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

252.1375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 158.6
[M+Na]+ 275.12672 163.3
[M-H]- 251.13022 164.4
[M+NH4]+ 270.17132 173.5
[M+K]+ 291.10066 158.5
[M+H-H2O]+ 235.13476 150.4
[M+HCOO]- 297.13570 183.8
[M+CH3COO]- 311.15135 206.7
[M+Na-2H]- 273.11217 161.7
[M]+ 252.13695 151.5
[M]- 252.13805 151.5
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

patents stripe