CID 5276795

Schembl13329960

Structural Information

Molecular Formula
C22H34N4O
SMILES
CCCCCCCCNC1=NC(=CC(=N1)N(CC)CCO)C2=CC=CC=C2
InChI
InChI=1S/C22H34N4O/c1-3-5-6-7-8-12-15-23-22-24-20(19-13-10-9-11-14-19)18-21(25-22)26(4-2)16-17-27/h9-11,13-14,18,27H,3-8,12,15-17H2,1-2H3,(H,23,24,25)
InChIKey
WOTLDBDNBYGJMB-UHFFFAOYSA-N
Compound name
2-[ethyl-[2-(octylamino)-6-phenylpyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.27325 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.28053 195.1
[M+Na]+ 393.26247 197.8
[M-H]- 369.26597 197.6
[M+NH4]+ 388.30707 203.8
[M+K]+ 409.23641 192.6
[M+H-H2O]+ 353.27051 183.7
[M+HCOO]- 415.27145 215.3
[M+CH3COO]- 429.28710 226.2
[M+Na-2H]- 391.24792 197.4
[M]+ 370.27270 198.0
[M]- 370.27380 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