CID 5276766

Schembl13329906

Structural Information

Molecular Formula
C23H29N5
SMILES
CCN(CC)CCCNC1=NC(=NC(=C1)C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C23H29N5/c1-3-28(4-2)17-11-16-24-22-18-21(19-12-7-5-8-13-19)26-23(27-22)25-20-14-9-6-10-15-20/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H2,24,25,26,27)
InChIKey
MFUFOEUDEFOGMS-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-2-N,6-diphenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.2423 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24958 192.7
[M+Na]+ 398.23152 195.9
[M-H]- 374.23502 199.8
[M+NH4]+ 393.27612 200.9
[M+K]+ 414.20546 189.9
[M+H-H2O]+ 358.23956 179.9
[M+HCOO]- 420.24050 216.0
[M+CH3COO]- 434.25615 230.4
[M+Na-2H]- 396.21697 198.3
[M]+ 375.24175 193.0
[M]- 375.24285 193.0
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