CID 504475

Schembl12619638

Structural Information

Molecular Formula
C21H28N6O
SMILES
CCCN1N=C2C=CC(=CC2=N1)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C21H28N6O/c1-3-11-27-24-19-6-5-18(15-20(19)25-27)28-14-10-17-8-12-26(13-9-17)21-7-4-16(2)22-23-21/h4-7,15,17H,3,8-14H2,1-2H3
InChIKey
VAMHQEKYYGQSPV-UHFFFAOYSA-N
Compound name
5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-propylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

380.23245 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23973 197.1
[M+Na]+ 403.22167 204.5
[M-H]- 379.22517 199.2
[M+NH4]+ 398.26627 203.0
[M+K]+ 419.19561 196.9
[M+H-H2O]+ 363.22971 183.1
[M+HCOO]- 425.23065 209.6
[M+CH3COO]- 439.24630 204.1
[M+Na-2H]- 401.20712 198.1
[M]+ 380.23190 198.0
[M]- 380.23300 198.0
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

patents stripe