CID 3015710

Methylniphenazine

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H18N4O2/c1-13-16(20(2)17(23)14-8-7-11-19-12-14)18(24)22(21(13)3)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKey
GCIGZRAXWDUHRE-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

322.14297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 175.3
[M+Na]+ 345.132188 184.4
[M-H]- 321.135694 183.7
[M+NH4]+ 340.176793 187.5
[M+K]+ 361.106128 180.2
[M+H-H2O]+ 305.140230 164.6
[M+HCOO]- 367.141171 197.7
[M+CH3COO]- 381.156821 213.6
[M+Na-2H]- 343.117636 176.8
[M]+ 322.14242142 178.3
[M]- 322.14351858 178.3
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

patents stripe