CID 379319

Nsc663868

Structural Information

Molecular Formula
C21H27N3
SMILES
C1CCCN(CCC1)CCCN=C2C3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C21H27N3/c1-2-6-14-23(15-7-3-1)16-9-13-22-21-18-10-4-5-11-19(18)24-17-8-12-20(21)24/h4-5,8,10-12,17H,1-3,6-7,9,13-16H2
InChIKey
ZYUWTWULBBFCBN-UHFFFAOYSA-N
Compound name
N-[3-(azocan-1-yl)propyl]pyrrolo[1,2-a]indol-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 178.2
[M+Na]+ 344.20972 181.8
[M-H]- 320.21322 180.8
[M+NH4]+ 339.25432 185.7
[M+K]+ 360.18366 180.0
[M+H-H2O]+ 304.21776 172.4
[M+HCOO]- 366.21870 185.9
[M+CH3COO]- 380.23435 181.1
[M+Na-2H]- 342.19517 175.1
[M]+ 321.21995 176.4
[M]- 321.22105 176.4
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.