CID 170429

40842-68-0

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC1(C2=CC=CC=C2N(C1=CN=NC3=CC=C(C=C3)OC)C)C
InChI
InChI=1S/C19H21N3O/c1-19(2)16-7-5-6-8-17(16)22(3)18(19)13-20-21-14-9-11-15(23-4)12-10-14/h5-13H,1-4H3
InChIKey
UDYOHMGOZUXHFZ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.16846 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 173.8
[M+Na]+ 330.15768 187.3
[M+NH4]+ 325.20228 183.8
[M+K]+ 346.13162 178.3
[M-H]- 306.16118 179.6
[M+Na-2H]- 328.14313 183.0
[M]+ 307.16791 177.6
[M]- 307.16901 177.6
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

patents stripe