CID 91666496

71033-11-9

Structural Information

Molecular Formula
C22H21N3O
SMILES
CC1=C(C=CC(=C1)C(=C2C=CC(=NC(=O)C)C=C2)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C22H21N3O/c1-14-13-18(7-12-21(14)24)22(16-3-8-19(23)9-4-16)17-5-10-20(11-6-17)25-15(2)26/h3-13H,23-24H2,1-2H3
InChIKey
SXNADAAZPXLPKL-UHFFFAOYSA-N
Compound name
N-[4-[(4-amino-3-methylphenyl)-(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 185.5
[M+Na]+ 366.15768 190.9
[M-H]- 342.16118 195.5
[M+NH4]+ 361.20228 197.8
[M+K]+ 382.13162 185.1
[M+H-H2O]+ 326.16572 175.7
[M+HCOO]- 388.16666 209.1
[M+CH3COO]- 402.18231 223.0
[M+Na-2H]- 364.14313 185.2
[M]+ 343.16791 180.6
[M]- 343.16901 180.6
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.