CID 177846152

72102-67-1

Structural Information

Molecular Formula
C23H14N6O
SMILES
C1=CC=C2/C(=C/C3=CC=C(C=C3)N=[N+]=[N-])/C(=O)/C(=C\C4=CC=C(C=C4)N=[N+]=[N-])/C2=C1
InChI
InChI=1S/C23H14N6O/c24-28-26-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)30)14-16-7-11-18(12-8-16)27-29-25/h1-14H/b21-13-,22-14-
InChIKey
UITUXBBJOXKQCV-JZTLMNBPSA-N
Compound name
(1Z,3Z)-1,3-bis[(4-azidophenyl)methylidene]inden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1229 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13018 194.1
[M+Na]+ 413.11212 198.2
[M-H]- 389.11562 208.3
[M+NH4]+ 408.15672 206.5
[M+K]+ 429.08606 182.2
[M+H-H2O]+ 373.12016 190.7
[M+HCOO]- 435.12110 227.2
[M+CH3COO]- 449.13675 226.5
[M+Na-2H]- 411.09757 203.1
[M]+ 390.12235 188.2
[M]- 390.12345 188.2
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.