CID 6410621

Cm 30490

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=CC(=NN=C1NCC[N+]2(CCOCC2)[O-])C3=CC=CC=C3
InChI
InChI=1S/C17H22N4O2/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21(22)9-11-23-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKey
VVOSLVILPVVRLB-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-6-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 172.8
[M+Na]+ 337.16352 176.9
[M-H]- 313.16702 176.8
[M+NH4]+ 332.20812 181.8
[M+K]+ 353.13746 168.1
[M+H-H2O]+ 297.17156 165.8
[M+HCOO]- 359.17250 188.4
[M+CH3COO]- 373.18815 197.2
[M+Na-2H]- 335.14897 181.3
[M]+ 314.17375 166.8
[M]- 314.17485 166.8
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.