CID 5276802

Schembl13329974

Structural Information

Molecular Formula
C17H24N4
SMILES
CCCC1=CC(=NC(=N1)N(C)C)NCCC2=CC=CC=C2
InChI
InChI=1S/C17H24N4/c1-4-8-15-13-16(20-17(19-15)21(2)3)18-12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,18,19,20)
InChIKey
GCPLIQNCEBKCOD-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-4-N-(2-phenylethyl)-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.2001 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20738 170.4
[M+Na]+ 307.18932 176.0
[M-H]- 283.19282 175.2
[M+NH4]+ 302.23392 183.5
[M+K]+ 323.16326 172.1
[M+H-H2O]+ 267.19736 159.9
[M+HCOO]- 329.19830 193.6
[M+CH3COO]- 343.21395 211.8
[M+Na-2H]- 305.17477 175.7
[M]+ 284.19955 172.1
[M]- 284.20065 172.1
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