CID 3080144

127374-99-6

Structural Information

Molecular Formula
C17H21N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C17H21N5O3/c1-2-6-14-18-15(20-16(19-14)22-9-11-24-12-10-22)21-17(23)25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23)
InChIKey
ILRLHUZRLDCWCU-UHFFFAOYSA-N
Compound name
phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

343.16443 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 182.0
[M+Na]+ 366.15365 194.6
[M+NH4]+ 361.19825 186.9
[M+K]+ 382.12759 188.9
[M-H]- 342.15715 186.5
[M+Na-2H]- 364.13910 189.2
[M]+ 343.16388 184.8
[M]- 343.16498 184.8
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

patents stripe