CID 10544409

4-[2-(4-carbamimidoylphenyl)-6-methyl-pyrimidin-4-yl]benzamidine

Structural Information

Molecular Formula
C19H18N6
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H18N6/c1-11-10-16(12-2-4-13(5-3-12)17(20)21)25-19(24-11)15-8-6-14(7-9-15)18(22)23/h2-10H,1H3,(H3,20,21)(H3,22,23)
InChIKey
YFJPLSQVJCHDHQ-UHFFFAOYSA-N
Compound name
4-[2-(4-carbamimidoylphenyl)-6-methylpyrimidin-4-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16658 180.2
[M+Na]+ 353.14852 186.3
[M-H]- 329.15202 187.1
[M+NH4]+ 348.19312 189.3
[M+K]+ 369.12246 179.5
[M+H-H2O]+ 313.15656 169.5
[M+HCOO]- 375.15750 202.7
[M+CH3COO]- 389.17315 189.2
[M+Na-2H]- 351.13397 183.3
[M]+ 330.15875 174.0
[M]- 330.15985 174.0
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.