CID 54070687

72259-81-5

Structural Information

Molecular Formula
C23H22N6O
SMILES
CC(C)C1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(=CC3=CC=C(C=C3)N=[N+]=[N-])C1
InChI
InChI=1S/C23H22N6O/c1-15(2)18-13-19(11-16-3-7-21(8-4-16)26-28-24)23(30)20(14-18)12-17-5-9-22(10-6-17)27-29-25/h3-12,15,18H,13-14H2,1-2H3
InChIKey
MGFFWPSXPUJKTE-UHFFFAOYSA-N
Compound name
2,6-bis[(4-azidophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

398.18552 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19280 199.3
[M+Na]+ 421.17474 200.9
[M-H]- 397.17824 211.7
[M+NH4]+ 416.21934 209.0
[M+K]+ 437.14868 186.1
[M+H-H2O]+ 381.18278 195.9
[M+HCOO]- 443.18372 228.6
[M+CH3COO]- 457.19937 230.1
[M+Na-2H]- 419.16019 204.5
[M]+ 398.18497 190.8
[M]- 398.18607 190.8
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