CID 135460512

Nsc88627

Structural Information

Molecular Formula
C14H17N5O
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H17N5O/c1-10-8-13(20)17-14(16-10)18-15-9-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H2,16,17,18,20)/b15-9+
InChIKey
PKVBNSPFUUAKKG-OQLLNIDSSA-N
Compound name
2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

271.1433 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 162.6
[M+Na]+ 294.13252 175.1
[M+NH4]+ 289.17712 169.1
[M+K]+ 310.10646 168.6
[M-H]- 270.13602 167.2
[M+Na-2H]- 292.11797 171.3
[M]+ 271.14275 165.4
[M]- 271.14385 165.4
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.