CID 10787959

N-isopropyl-4-[2-[4-(n-isopropylcarbamimidoyl)phenyl]-6-methyl-pyrimidin-4-yl]benzamidine

Structural Information

Molecular Formula
C25H30N6
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(=NC(C)C)N)C3=CC=C(C=C3)C(=NC(C)C)N
InChI
InChI=1S/C25H30N6/c1-15(2)28-23(26)19-8-6-18(7-9-19)22-14-17(5)30-25(31-22)21-12-10-20(11-13-21)24(27)29-16(3)4/h6-16H,1-5H3,(H2,26,28)(H2,27,29)
InChIKey
AQPJUBAPPURZRM-UHFFFAOYSA-N
Compound name
4-[6-methyl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]pyrimidin-4-yl]-N'-propan-2-ylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26048 207.6
[M+Na]+ 437.24242 211.3
[M-H]- 413.24592 216.2
[M+NH4]+ 432.28702 214.5
[M+K]+ 453.21636 206.2
[M+H-H2O]+ 397.25046 195.3
[M+HCOO]- 459.25140 229.0
[M+CH3COO]- 473.26705 245.2
[M+Na-2H]- 435.22787 206.2
[M]+ 414.25265 205.6
[M]- 414.25375 205.6
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.