CID 56841049

72102-55-7

Structural Information

Molecular Formula
C27H34N3
SMILES
CCNC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3)NCC)C)C
InChI
InChI=1S/C27H33N3/c1-7-28-25-15-11-22(17-19(25)3)27(21-9-13-24(14-10-21)30(5)6)23-12-16-26(29-8-2)20(4)18-23/h9-18H,7-8H2,1-6H3,(H,28,29)/p+1
InChIKey
MYZUENJXXDKRPD-UHFFFAOYSA-O
Compound name
[4-[bis[4-(ethylamino)-3-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.27527 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.28255 206.4
[M+Na]+ 423.26449 209.7
[M-H]- 399.26799 216.7
[M+NH4]+ 418.30909 216.8
[M+K]+ 439.23843 197.9
[M+H-H2O]+ 383.27253 198.3
[M+HCOO]- 445.27347 228.4
[M+CH3COO]- 459.28912 231.9
[M+Na-2H]- 421.24994 206.7
[M]+ 400.27472 203.6
[M]- 400.27582 203.6
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.