CID 5276762

Schembl13329900

Structural Information

Molecular Formula
C23H36N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)C)NC2=CC=CC=C2
InChI
InChI=1S/C23H36N4/c1-3-4-5-6-7-8-9-10-11-15-18-24-22-19-20(2)25-23(27-22)26-21-16-13-12-14-17-21/h12-14,16-17,19H,3-11,15,18H2,1-2H3,(H2,24,25,26,27)
InChIKey
BFYOKXWZOUGXQF-UHFFFAOYSA-N
Compound name
4-N-dodecyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.294 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.30128 195.5
[M+Na]+ 391.28322 198.2
[M-H]- 367.28672 197.7
[M+NH4]+ 386.32782 204.5
[M+K]+ 407.25716 191.6
[M+H-H2O]+ 351.29126 183.9
[M+HCOO]- 413.29220 216.2
[M+CH3COO]- 427.30785 226.3
[M+Na-2H]- 389.26867 198.5
[M]+ 368.29345 198.0
[M]- 368.29455 198.0
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