CID 72565

18588-50-6

Structural Information

Molecular Formula
C11H12N4
SMILES
CC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
InChI
InChI=1S/C11H12N4/c1-7-9(8-5-3-2-4-6-8)10(12)15-11(13)14-7/h2-6H,1H3,(H4,12,13,14,15)
InChIKey
RBOOBZAJMOATAV-UHFFFAOYSA-N
Compound name
6-methyl-5-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

200.1062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 144.7
[M+Na]+ 223.09542 154.0
[M-H]- 199.09892 148.8
[M+NH4]+ 218.14002 160.6
[M+K]+ 239.06936 149.4
[M+H-H2O]+ 183.10346 136.3
[M+HCOO]- 245.10440 168.3
[M+CH3COO]- 259.12005 157.3
[M+Na-2H]- 221.08087 151.2
[M]+ 200.10565 141.7
[M]- 200.10675 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe