CID 107574

4677-09-2

Structural Information

Molecular Formula
C18H19N3
SMILES
CC1(C2=CC=CC=C2N(C1=CN=NC3=CC=CC=C3)C)C
InChI
InChI=1S/C18H19N3/c1-18(2)15-11-7-8-12-16(15)21(3)17(18)13-19-20-14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKey
QYQPYSMHVQAYIX-UHFFFAOYSA-N
Compound name
phenyl-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.165176 164.7
[M+Na]+ 300.147118 173.7
[M-H]- 276.150624 174.0
[M+NH4]+ 295.191723 185.4
[M+K]+ 316.121058 168.8
[M+H-H2O]+ 260.155160 155.9
[M+HCOO]- 322.156101 191.2
[M+CH3COO]- 336.171751 177.8
[M+Na-2H]- 298.132566 170.8
[M]+ 277.15735142 166.0
[M]- 277.15844858 166.0
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.