CID 174258

71173-64-3

Structural Information

Molecular Formula
C25H30N3O
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)NCCO
InChI
InChI=1S/C25H29N3O/c1-27(2)23-13-7-20(8-14-23)25(21-9-15-24(16-10-21)28(3)4)19-5-11-22(12-6-19)26-17-18-29/h5-16,29H,17-18H2,1-4H3/p+1
InChIKey
MSYYTNHEAVXEAB-UHFFFAOYSA-O
Compound name
[4-[[4-(dimethylamino)phenyl]-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2389 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24618 200.3
[M+Na]+ 411.22812 202.1
[M-H]- 387.23162 210.3
[M+NH4]+ 406.27272 210.4
[M+K]+ 427.20206 191.9
[M+H-H2O]+ 371.23616 192.2
[M+HCOO]- 433.23710 222.3
[M+CH3COO]- 447.25275 226.4
[M+Na-2H]- 409.21357 202.1
[M]+ 388.23835 196.8
[M]- 388.23945 196.8
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

No patent data available for this compound.