CID 51100

70551-91-6

Structural Information

Molecular Formula
C13H15N5O
SMILES
CC(C)C(=O)NNC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H15N5O/c1-9(2)12(19)16-18-13-15-11(8-14-17-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,19)(H,15,17,18)
InChIKey
INCLVYZRUBUTHT-UHFFFAOYSA-N
Compound name
2-methyl-N'-(5-phenyl-1,2,4-triazin-3-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 159.0
[M+Na]+ 280.11688 165.1
[M-H]- 256.12038 161.8
[M+NH4]+ 275.16148 170.7
[M+K]+ 296.09082 161.5
[M+H-H2O]+ 240.12492 148.8
[M+HCOO]- 302.12586 180.3
[M+CH3COO]- 316.14151 200.5
[M+Na-2H]- 278.10233 166.0
[M]+ 257.12711 157.7
[M]- 257.12821 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.