CID 488803

N2-(5-bromo-2-pyridyl)-n4-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H18BrN5
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=NC=C(C=C3)Br)C
InChI
InChI=1S/C18H18BrN5/c1-11-8-12(2)17(13(3)9-11)22-16-6-7-20-18(24-16)23-15-5-4-14(19)10-21-15/h4-10H,1-3H3,(H2,20,21,22,23,24)
InChIKey
QFSUSXKNJCLSBU-UHFFFAOYSA-N
Compound name
2-N-(5-bromopyridin-2-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

383.07455 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08183 181.3
[M+Na]+ 406.06377 192.4
[M-H]- 382.06727 189.9
[M+NH4]+ 401.10837 192.6
[M+K]+ 422.03771 178.0
[M+H-H2O]+ 366.07181 176.5
[M+HCOO]- 428.07275 200.9
[M+CH3COO]- 442.08840 193.0
[M+Na-2H]- 404.04922 188.0
[M]+ 383.07400 199.7
[M]- 383.07510 199.7
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