CID 44723968

303104-03-2

Structural Information

Molecular Formula
C20H18N4O
SMILES
CC1=CC=CC=C1/C=N/NC(=O)C2=C3CCC4=CC=CC=C4C3=NN2
InChI
InChI=1S/C20H18N4O/c1-13-6-2-3-8-15(13)12-21-24-20(25)19-17-11-10-14-7-4-5-9-16(14)18(17)22-23-19/h2-9,12H,10-11H2,1H3,(H,22,23)(H,24,25)/b21-12+
InChIKey
VSGYYFOPCAESQV-CIAFOILYSA-N
Compound name
N-[(E)-(2-methylphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 176.4
[M+Na]+ 353.137288 183.2
[M-H]- 329.140794 182.1
[M+NH4]+ 348.181893 190.5
[M+K]+ 369.111228 176.5
[M+H-H2O]+ 313.145330 166.5
[M+HCOO]- 375.146271 196.6
[M+CH3COO]- 389.161921 186.3
[M+Na-2H]- 351.122736 181.6
[M]+ 330.14752142 174.6
[M]- 330.14861858 174.6
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.