CID 3429861

331001-62-8

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CC(=O)C1=CC=C(C=C1)NN=C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)N
InChI
InChI=1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,24H,12H2,1-3H3,(H2,22,27)
InChIKey
ALJIEVIJBAJISI-UHFFFAOYSA-N
Compound name
2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

298
Patents

362.1743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.181576 186.9
[M+Na]+ 385.163518 192.1
[M-H]- 361.167024 193.6
[M+NH4]+ 380.208123 200.0
[M+K]+ 401.137458 188.3
[M+H-H2O]+ 345.171560 177.3
[M+HCOO]- 407.172501 207.7
[M+CH3COO]- 421.188151 227.6
[M+Na-2H]- 383.148966 190.1
[M]+ 362.17375142 185.4
[M]- 362.17484858 185.4
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