CID 3151436

510762-63-7

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCCOC
InChI
InChI=1S/C18H21N5O3/c1-3-20-17(24)12-11-13-16(23(15(12)19)9-6-10-26-2)21-14-7-4-5-8-22(14)18(13)25/h4-5,7-8,11,19H,3,6,9-10H2,1-2H3,(H,20,24)
InChIKey
SZHYJTDLFSOPAU-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-7-(3-methoxypropyl)-2-oxo-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

0
References

0
Patents

355.16443 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17171 184.1
[M+Na]+ 378.15365 194.1
[M-H]- 354.15715 186.3
[M+NH4]+ 373.19825 194.8
[M+K]+ 394.12759 188.4
[M+H-H2O]+ 338.16169 173.8
[M+HCOO]- 400.16263 204.4
[M+CH3COO]- 414.17828 222.0
[M+Na-2H]- 376.13910 191.3
[M]+ 355.16388 189.4
[M]- 355.16498 189.4
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.