CID 13473058

Sr 95294 a

Structural Information

Molecular Formula
C21H21N5O
SMILES
C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H21N5O/c22-15-17-14-20(19-7-3-5-16-4-1-2-6-18(16)19)24-25-21(17)23-8-9-26-10-12-27-13-11-26/h1-7,14H,8-13H2,(H,23,25)
InChIKey
SASVUPJYIQQECU-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethylamino)-6-naphthalen-1-ylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.17462 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18190 184.3
[M+Na]+ 382.16384 191.6
[M-H]- 358.16734 186.9
[M+NH4]+ 377.20844 189.7
[M+K]+ 398.13778 183.1
[M+H-H2O]+ 342.17188 164.9
[M+HCOO]- 404.17282 195.4
[M+CH3COO]- 418.18847 190.3
[M+Na-2H]- 380.14929 188.9
[M]+ 359.17407 175.7
[M]- 359.17517 175.7
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.