CID 51105

Brn 0831300

Structural Information

Molecular Formula
C18H17N5O
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H17N5O/c1-13-7-9-15(10-8-13)16-12-19-22-18(20-16)23-21-17(24)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKey
GUMGRLRXRKAHMJ-UHFFFAOYSA-N
Compound name
N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 175.2
[M+Na]+ 342.13252 181.4
[M-H]- 318.13602 180.8
[M+NH4]+ 337.17712 184.0
[M+K]+ 358.10646 175.3
[M+H-H2O]+ 302.14056 163.3
[M+HCOO]- 364.14150 196.8
[M+CH3COO]- 378.15715 184.6
[M+Na-2H]- 340.11797 182.6
[M]+ 319.14275 173.8
[M]- 319.14385 173.8
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

No patent data available for this compound.