CID 15320491

Benzene-1,3,5-tricarbohydrazide

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1=C(C=C(C=C1C(=O)NN)C(=O)NN)C(=O)NN
InChI
InChI=1S/C9H12N6O3/c10-13-7(16)4-1-5(8(17)14-11)3-6(2-4)9(18)15-12/h1-3H,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKey
MNBHRGAIQJFCIO-UHFFFAOYSA-N
Compound name
benzene-1,3,5-tricarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

252.09709 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 155.3
[M+Na]+ 275.08631 158.9
[M+NH4]+ 270.13091 158.7
[M+K]+ 291.06025 158.2
[M-H]- 251.08981 156.5
[M+Na-2H]- 273.07176 157.1
[M]+ 252.09654 155.0
[M]- 252.09764 155.0
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

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