CID 459131

N2,n4-bis[4-(diethylamino)butyl]pyrimidine-2,4,6-triamine

Structural Information

Molecular Formula
C20H41N7
SMILES
CCN(CC)CCCCNC1=NC(=NC(=C1)N)NCCCCN(CC)CC
InChI
InChI=1S/C20H41N7/c1-5-26(6-2)15-11-9-13-22-19-17-18(21)24-20(25-19)23-14-10-12-16-27(7-3)8-4/h17H,5-16H2,1-4H3,(H4,21,22,23,24,25)
InChIKey
IYWFVWXSNOWDEC-UHFFFAOYSA-N
Compound name
2-N,4-N-bis[4-(diethylamino)butyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.34235 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.34963 199.2
[M+Na]+ 402.33157 199.8
[M-H]- 378.33507 200.9
[M+NH4]+ 397.37617 208.3
[M+K]+ 418.30551 197.7
[M+H-H2O]+ 362.33961 187.6
[M+HCOO]- 424.34055 223.0
[M+CH3COO]- 438.35620 243.2
[M+Na-2H]- 400.31702 200.2
[M]+ 379.34180 202.7
[M]- 379.34290 202.7
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.