CID 10618

Noramidopyrine

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC
InChI
InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChIKey
JILCEWWZTBBOFS-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

98
References

327
Patents

217.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.3
[M+Na]+ 240.11072 157.8
[M-H]- 216.11422 152.6
[M+NH4]+ 235.15532 165.4
[M+K]+ 256.08466 154.1
[M+H-H2O]+ 200.11876 139.4
[M+HCOO]- 262.11970 172.0
[M+CH3COO]- 276.13535 192.0
[M+Na-2H]- 238.09617 151.4
[M]+ 217.12095 149.1
[M]- 217.12205 149.1
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

patents stripe