CID 214834

34374-11-3

Structural Information

Molecular Formula
C21H29N3
SMILES
CCCC1N2CCCCC2C3N1CCC4=C3N(C5=CC=CC=C45)C
InChI
InChI=1S/C21H29N3/c1-3-8-19-23-13-7-6-11-18(23)21-20-16(12-14-24(19)21)15-9-4-5-10-17(15)22(20)2/h4-5,9-10,18-19,21H,3,6-8,11-14H2,1-2H3
InChIKey
RGUBHAXBBWJMJY-UHFFFAOYSA-N
Compound name
20-methyl-9-propyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.23615 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 182.9
[M+Na]+ 346.22537 190.4
[M-H]- 322.22887 185.2
[M+NH4]+ 341.26997 200.8
[M+K]+ 362.19931 183.1
[M+H-H2O]+ 306.23341 173.4
[M+HCOO]- 368.23435 194.0
[M+CH3COO]- 382.25000 191.7
[M+Na-2H]- 344.21082 181.3
[M]+ 323.23560 180.8
[M]- 323.23670 180.8
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

No patent data available for this compound.