CID 9556283

Nsc683916

Structural Information

Molecular Formula
C14H12N4S
SMILES
CC1=CC=C(S1)/C=N/NC2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C14H12N4S/c1-10-6-7-12(19-10)9-16-18-14-13-5-3-2-4-11(13)8-15-17-14/h2-9H,1H3,(H,17,18)/b16-9+
InChIKey
RWTOMRNSNXDPFA-CXUHLZMHSA-N
Compound name
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]phthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08556 156.7
[M+Na]+ 291.06750 167.7
[M-H]- 267.07100 164.2
[M+NH4]+ 286.11210 174.5
[M+K]+ 307.04144 161.9
[M+H-H2O]+ 251.07554 148.3
[M+HCOO]- 313.07648 179.5
[M+CH3COO]- 327.09213 170.0
[M+Na-2H]- 289.05295 163.6
[M]+ 268.07773 160.9
[M]- 268.07883 160.9
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.