CID 5276799

N4-phenethyl-n2,6-diphenyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C24H22N4
SMILES
C1=CC=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C24H22N4/c1-4-10-19(11-5-1)16-17-25-23-18-22(20-12-6-2-7-13-20)27-24(28-23)26-21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H2,25,26,27,28)
InChIKey
DOORGABCNYUDPK-UHFFFAOYSA-N
Compound name
2-N,6-diphenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.18445 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19173 187.7
[M+Na]+ 389.17367 192.5
[M-H]- 365.17717 196.5
[M+NH4]+ 384.21827 195.2
[M+K]+ 405.14761 184.1
[M+H-H2O]+ 349.18171 174.6
[M+HCOO]- 411.18265 210.1
[M+CH3COO]- 425.19830 196.2
[M+Na-2H]- 387.15912 195.4
[M]+ 366.18390 184.9
[M]- 366.18500 184.9
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

No patent data available for this compound.