CID 34542

6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C9H8N6O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H8N6O2/c10-8-12-7(13-9(11)14-8)5-2-1-3-6(4-5)15(16)17/h1-4H,(H4,10,11,12,13,14)
InChIKey
VPHQFMMMDMEBFG-UHFFFAOYSA-N
Compound name
6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

35
Patents

232.07088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07816 144.7
[M+Na]+ 255.06010 158.3
[M+NH4]+ 250.10470 151.0
[M+K]+ 271.03404 156.2
[M-H]- 231.06360 149.1
[M+Na-2H]- 253.04555 152.9
[M]+ 232.07033 147.5
[M]- 232.07143 147.5
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