CID 58168397

Tert-butyl 4-[4-chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H25ClN6O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)Cl)N3CCOCC3
InChI
InChI=1S/C16H25ClN6O3/c1-16(2,3)26-15(24)23-6-4-21(5-7-23)13-18-12(17)19-14(20-13)22-8-10-25-11-9-22/h4-11H2,1-3H3
InChIKey
QAHSSVXYVMJUQD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

384.16766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17494 195.0
[M+Na]+ 407.15688 199.5
[M-H]- 383.16038 195.7
[M+NH4]+ 402.20148 197.0
[M+K]+ 423.13082 195.9
[M+H-H2O]+ 367.16492 181.7
[M+HCOO]- 429.16586 195.4
[M+CH3COO]- 443.18151 215.1
[M+Na-2H]- 405.14233 195.5
[M]+ 384.16711 192.1
[M]- 384.16821 192.1
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