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]+ 331.15535 176.4
[M+Na]+ 353.13729 183.2
[M-H]- 329.14079 182.1
[M+NH4]+ 348.18189 190.5
[M+K]+ 369.11123 176.5
[M+H-H2O]+ 313.14533 166.5
[M+HCOO]- 375.14627 196.6
[M+CH3COO]- 389.16192 186.3
[M+Na-2H]- 351.12274 181.6
[M]+ 330.14752 174.6
[M]- 330.14862 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.