CID 41772

56173-18-3

Structural Information

Molecular Formula
C11H12N4
SMILES
CC(=NNC1=NN=CC2=CC=CC=C21)C
InChI
InChI=1S/C11H12N4/c1-8(2)13-15-11-10-6-4-3-5-9(10)7-12-14-11/h3-7H,1-2H3,(H,14,15)
InChIKey
AKFJXINWDQGPHO-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)phthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

200.1062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 142.8
[M+Na]+ 223.095418 150.6
[M-H]- 199.098924 146.0
[M+NH4]+ 218.140023 160.5
[M+K]+ 239.069358 147.7
[M+H-H2O]+ 183.103460 134.3
[M+HCOO]- 245.104401 166.8
[M+CH3COO]- 259.120051 192.9
[M+Na-2H]- 221.080866 152.9
[M]+ 200.10565142 142.7
[M]- 200.10674858 142.7
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

patents stripe