CID 29542

2,4-diamino-6-(4-methylphenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C10H11N5
SMILES
CC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H11N5/c1-6-2-4-7(5-3-6)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKey
DECZZKFYYMMMCQ-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

201.10144 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 145.4
[M+Na]+ 224.09066 155.2
[M-H]- 200.09416 148.2
[M+NH4]+ 219.13526 159.9
[M+K]+ 240.06460 150.5
[M+H-H2O]+ 184.09870 136.3
[M+HCOO]- 246.09964 168.0
[M+CH3COO]- 260.11529 157.6
[M+Na-2H]- 222.07611 152.5
[M]+ 201.10089 142.6
[M]- 201.10199 142.6
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

patents stripe