CID 73745649

79313-76-1

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC1(C2=CC=CC=C2N(C1=CN=NC3=CC=CC=C3OC)C)C
InChI
InChI=1S/C19H21N3O/c1-19(2)14-9-5-7-11-16(14)22(3)18(19)13-20-21-15-10-6-8-12-17(15)23-4/h5-13H,1-4H3
InChIKey
FTRUQRHWHCWAMO-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 172.4
[M+Na]+ 330.15768 181.6
[M-H]- 306.16118 181.8
[M+NH4]+ 325.20228 192.0
[M+K]+ 346.13162 177.2
[M+H-H2O]+ 290.16572 163.5
[M+HCOO]- 352.16666 198.6
[M+CH3COO]- 366.18231 215.5
[M+Na-2H]- 328.14313 177.3
[M]+ 307.16791 175.8
[M]- 307.16901 175.8
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