CID 3053071

69467-40-9

Structural Information

Molecular Formula
C18H18N6O
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NNC2=NC(=CN=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H18N6O/c19-15(11-13-7-3-1-4-8-13)17(25)22-24-18-21-16(12-20-23-18)14-9-5-2-6-10-14/h1-10,12,15H,11,19H2,(H,22,25)(H,21,23,24)/t15-/m0/s1
InChIKey
AGJTWNPCXMCYIW-HNNXBMFYSA-N
Compound name
(2S)-2-amino-3-phenyl-N'-(5-phenyl-1,2,4-triazin-3-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16148 176.2
[M+Na]+ 357.14342 180.3
[M-H]- 333.14692 181.1
[M+NH4]+ 352.18802 183.4
[M+K]+ 373.11736 174.6
[M+H-H2O]+ 317.15146 164.2
[M+HCOO]- 379.15240 197.3
[M+CH3COO]- 393.16805 184.5
[M+Na-2H]- 355.12887 183.3
[M]+ 334.15365 172.3
[M]- 334.15475 172.3
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.