CID 391342

Nsc690372

Structural Information

Molecular Formula
C19H11N3
SMILES
C1C2=CC=CC=C2C3=C(C4=NC5=CC=CC=C5N4C=C31)C#N
InChI
InChI=1S/C19H11N3/c20-10-15-18-13(9-12-5-1-2-6-14(12)18)11-22-17-8-4-3-7-16(17)21-19(15)22/h1-8,11H,9H2
InChIKey
VHGZDYPQCQJPOG-UHFFFAOYSA-N
Compound name
3,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene-12-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0953 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10258 170.1
[M+Na]+ 304.08452 185.6
[M-H]- 280.08802 173.7
[M+NH4]+ 299.12912 188.7
[M+K]+ 320.05846 172.7
[M+H-H2O]+ 264.09256 155.4
[M+HCOO]- 326.09350 186.8
[M+CH3COO]- 340.10915 180.9
[M+Na-2H]- 302.06997 174.8
[M]+ 281.09475 168.0
[M]- 281.09585 168.0
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.