CID 677167

Chemdiv2_003249

Structural Information

Molecular Formula
C12H14N4
SMILES
CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H14N4/c1-16(2)11-8-10(14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)
InChIKey
JZARMCYNEGDPGB-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-6-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

214.12184 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 148.3
[M+Na]+ 237.11106 156.2
[M-H]- 213.11456 153.6
[M+NH4]+ 232.15566 164.1
[M+K]+ 253.08500 153.1
[M+H-H2O]+ 197.11910 139.0
[M+HCOO]- 259.12004 172.6
[M+CH3COO]- 273.13569 196.2
[M+Na-2H]- 235.09651 155.3
[M]+ 214.12129 147.3
[M]- 214.12239 147.3
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