CID 3754985

371209-62-0

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C18H19N5O2/c1-3-8-20-17(24)12-11-13-16(23(9-4-2)15(12)19)21-14-7-5-6-10-22(14)18(13)25/h3,5-7,10-11,19H,1,4,8-9H2,2H3,(H,20,24)
InChIKey
KXGCKSDADYPZNY-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N-prop-2-enyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

337.15387 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 180.4
[M+Na]+ 360.14309 191.1
[M-H]- 336.14659 182.7
[M+NH4]+ 355.18769 192.0
[M+K]+ 376.11703 184.0
[M+H-H2O]+ 320.15113 170.5
[M+HCOO]- 382.15207 200.9
[M+CH3COO]- 396.16772 219.0
[M+Na-2H]- 358.12854 187.5
[M]+ 337.15332 183.8
[M]- 337.15442 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.