CID 6410844

4-morpholineethanamine, n-(4-methyl-6-(4-nitrophenyl)-3-pyridazinyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C17H21N5O3
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H21N5O3/c1-13-12-16(14-2-4-15(5-3-14)22(23)24)19-20-17(13)18-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,20)
InChIKey
MNJPGYJWXJESNZ-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.16443 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 180.7
[M+Na]+ 366.15365 184.0
[M-H]- 342.15715 186.2
[M+NH4]+ 361.19825 186.5
[M+K]+ 382.12759 176.2
[M+H-H2O]+ 326.16169 172.9
[M+HCOO]- 388.16263 198.1
[M+CH3COO]- 402.17828 208.4
[M+Na-2H]- 364.13910 187.7
[M]+ 343.16388 176.3
[M]- 343.16498 176.3
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.