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 182.9
[M+Na]+ 366.15365 187.3
[M-H]- 342.15715 186.8
[M+NH4]+ 361.19825 188.0
[M+K]+ 382.12759 184.0
[M+H-H2O]+ 326.16169 169.9
[M+HCOO]- 388.16263 197.5
[M+CH3COO]- 402.17828 211.5
[M+Na-2H]- 364.13910 187.3
[M]+ 343.16388 181.3
[M]- 343.16498 181.3
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