CID 112701

Einecs 264-352-9

Structural Information

Molecular Formula
C21H19N3
SMILES
CC1(C2=CC=CC=C2N=C1C=NNC3=CC4=CC=CC=C4C=C3)C
InChI
InChI=1S/C21H19N3/c1-21(2)18-9-5-6-10-19(18)23-20(21)14-22-24-17-12-11-15-7-3-4-8-16(15)13-17/h3-14,24H,1-2H3
InChIKey
JZBNZDUYBGAUDX-UHFFFAOYSA-N
Compound name
N-[(3,3-dimethylindol-2-yl)methylideneamino]naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1579 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16518 173.9
[M+Na]+ 336.14712 183.1
[M-H]- 312.15062 182.7
[M+NH4]+ 331.19172 193.1
[M+K]+ 352.12106 176.3
[M+H-H2O]+ 296.15516 164.2
[M+HCOO]- 358.15610 198.7
[M+CH3COO]- 372.17175 185.9
[M+Na-2H]- 334.13257 181.6
[M]+ 313.15735 175.3
[M]- 313.15845 175.3
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.