CID 23908

7426-35-9

Structural Information

Molecular Formula
C10H11N5
SMILES
CC1=NC(=NC(=N1)NC2=CC=CC=C2)N
InChI
InChI=1S/C10H11N5/c1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13,14,15)
InChIKey
AMHZCJNIRZHOAJ-UHFFFAOYSA-N
Compound name
6-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
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 144.0
[M+Na]+ 224.09066 152.8
[M-H]- 200.09416 146.8
[M+NH4]+ 219.13526 158.3
[M+K]+ 240.06460 148.4
[M+H-H2O]+ 184.09870 134.5
[M+HCOO]- 246.09964 167.2
[M+CH3COO]- 260.11529 156.1
[M+Na-2H]- 222.07611 153.0
[M]+ 201.10089 141.7
[M]- 201.10199 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