CID 5276755

Schembl13329890

Structural Information

Molecular Formula
C24H39N5
SMILES
CCCCCCC1=C(N=C(N=C1NCCCN(CC)CC)NC2=CC=CC=C2)C
InChI
InChI=1S/C24H39N5/c1-5-8-9-13-17-22-20(4)26-24(27-21-15-11-10-12-16-21)28-23(22)25-18-14-19-29(6-2)7-3/h10-12,15-16H,5-9,13-14,17-19H2,1-4H3,(H2,25,26,27,28)
InChIKey
DAHWTQVNJYEPQQ-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-5-hexyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

397.32056 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.32784 204.8
[M+Na]+ 420.30978 207.3
[M-H]- 396.31328 208.6
[M+NH4]+ 415.35438 213.1
[M+K]+ 436.28372 201.9
[M+H-H2O]+ 380.31782 192.7
[M+HCOO]- 442.31876 226.6
[M+CH3COO]- 456.33441 238.7
[M+Na-2H]- 418.29523 206.2
[M]+ 397.32001 208.6
[M]- 397.32111 208.6
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