CID 15320491

36997-31-6

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: 188
Patents: 252.09709 Da
Monoisotopic Mass: -2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.10437	152.7
[M+Na]+	275.08631	156.8
[M-H]-	251.08981	155.5
[M+NH4]+	270.13091	166.7
[M+K]+	291.06025	156.2
[M+H-H2O]+	235.09435	144.4
[M+HCOO]-	297.09529	179.4
[M+CH3COO]-	311.11094	208.9
[M+Na-2H]-	273.07176	154.6
[M]+	252.09654	145.8
[M]-	252.09764	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe