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]+ 314.222696 177.6
[M+Na]+ 336.204638 183.8
[M-H]- 312.208144 182.9
[M+NH4]+ 331.249243 190.0
[M+K]+ 352.178578 180.6
[M+H-H2O]+ 296.212680 167.6
[M+HCOO]- 358.213621 197.5
[M+CH3COO]- 372.229271 217.0
[M+Na-2H]- 334.190086 178.4
[M]+ 313.21487142 180.7
[M]- 313.21596858 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.