CID 207637

Sep 367

Structural Information

Molecular Formula
C19H27N3O
SMILES
CC1=CC(=NN(C1=O)CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H27N3O/c1-14(2)21(15(3)4)11-12-22-19(23)16(5)13-18(20-22)17-9-7-6-8-10-17/h6-10,13-15H,11-12H2,1-5H3
InChIKey
MQGSNOPKHCWMRL-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 177.6
[M+Na]+ 336.20464 183.8
[M-H]- 312.20814 182.9
[M+NH4]+ 331.24924 190.0
[M+K]+ 352.17858 180.6
[M+H-H2O]+ 296.21268 167.6
[M+HCOO]- 358.21362 197.5
[M+CH3COO]- 372.22927 217.0
[M+Na-2H]- 334.19009 178.4
[M]+ 313.21487 180.7
[M]- 313.21597 180.7
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.