CID 10811748

4,6-bis-(4-n-propylamidinophenyl)-2-methylpyrimidine hydrochloride

Structural Information

Molecular Formula
C25H30N6
SMILES
CCCN=C(C1=CC=C(C=C1)C2=CC(=NC(=N2)C)C3=CC=C(C=C3)C(=NCCC)N)N
InChI
InChI=1S/C25H30N6/c1-4-14-28-24(26)20-10-6-18(7-11-20)22-16-23(31-17(3)30-22)19-8-12-21(13-9-19)25(27)29-15-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,28)(H2,27,29)
InChIKey
BGGNPBJZFYOKFA-UHFFFAOYSA-N
Compound name
4-[2-methyl-6-[4-(N'-propylcarbamimidoyl)phenyl]pyrimidin-4-yl]-N'-propylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26048 207.2
[M+Na]+ 437.24242 211.5
[M-H]- 413.24592 215.5
[M+NH4]+ 432.28702 214.3
[M+K]+ 453.21636 205.0
[M+H-H2O]+ 397.25046 194.4
[M+HCOO]- 459.25140 230.5
[M+CH3COO]- 473.26705 243.3
[M+Na-2H]- 435.22787 208.0
[M]+ 414.25265 206.3
[M]- 414.25375 206.3
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.