CID 5276760

Schembl13329898

Structural Information

Molecular Formula
C21H32N4
SMILES
CCCCN(CCCC)C1=NC(=NC(=C1)CCC)NC2=CC=CC=C2
InChI
InChI=1S/C21H32N4/c1-4-7-15-25(16-8-5-2)20-17-19(12-6-3)23-21(24-20)22-18-13-10-9-11-14-18/h9-11,13-14,17H,4-8,12,15-16H2,1-3H3,(H,22,23,24)
InChIKey
JPINNZJBCZXJGB-UHFFFAOYSA-N
Compound name
4-N,4-N-dibutyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.2627 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26998 188.1
[M+Na]+ 363.25192 191.9
[M-H]- 339.25542 192.1
[M+NH4]+ 358.29652 198.9
[M+K]+ 379.22586 187.1
[M+H-H2O]+ 323.25996 176.7
[M+HCOO]- 385.26090 209.9
[M+CH3COO]- 399.27655 223.7
[M+Na-2H]- 361.23737 191.3
[M]+ 340.26215 191.2
[M]- 340.26325 191.2
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