CID 272665

Nsc117288

Structural Information

Molecular Formula
C12H15N7
SMILES
CC1=C(C=C(C=C1)N=NC2=C(N=C(N=C2N)N)N)C
InChI
InChI=1S/C12H15N7/c1-6-3-4-8(5-7(6)2)18-19-9-10(13)16-12(15)17-11(9)14/h3-5H,1-2H3,(H6,13,14,15,16,17)
InChIKey
GUZGCSYLBWURRL-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethylphenyl)diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1389 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14618 160.6
[M+Na]+ 280.12812 170.0
[M-H]- 256.13162 167.5
[M+NH4]+ 275.17272 174.7
[M+K]+ 296.10206 166.1
[M+H-H2O]+ 240.13616 150.7
[M+HCOO]- 302.13710 189.3
[M+CH3COO]- 316.15275 214.6
[M+Na-2H]- 278.11357 166.1
[M]+ 257.13835 158.6
[M]- 257.13945 158.6
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

No patent data available for this compound.