CID 379387

Nsc663929

Structural Information

Molecular Formula
C22H14N2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C4C5=CC=CC6=CC=CC(C65)C4=N3
InChI
InChI=1S/C22H14N2/c1-2-8-15-13(5-1)11-12-18-20(15)24-22-17-10-4-7-14-6-3-9-16(19(14)17)21(22)23-18/h1-12,16,19H
InChIKey
RFXZRQNDEBNELR-UHFFFAOYSA-N
Compound name
3,14-diazahexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2,4(13),5,7,9,11,14,17,19,21-undecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1157 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12298 169.4
[M+Na]+ 329.10492 180.6
[M-H]- 305.10842 174.6
[M+NH4]+ 324.14952 188.1
[M+K]+ 345.07886 171.7
[M+H-H2O]+ 289.11296 158.7
[M+HCOO]- 351.11390 185.8
[M+CH3COO]- 365.12955 180.6
[M+Na-2H]- 327.09037 178.7
[M]+ 306.11515 171.7
[M]- 306.11625 171.7
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.