CID 135513885

Carbamic acid, (3-cyano-6,7-dimethyl-1,4-dioxido-2-quinoxalinyl)-, 1-methylethyl ester

Structural Information

Molecular Formula
C15H16N4O4
SMILES
CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C#N)NC(=O)OC(C)C)[O-]
InChI
InChI=1S/C15H16N4O4/c1-8(2)23-15(20)17-14-13(7-16)18(21)11-5-9(3)10(4)6-12(11)19(14)22/h5-6,8H,1-4H3,(H,17,20)
InChIKey
KWNRODAPRPQJGA-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-cyano-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.11716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 179.8
[M+Na]+ 339.10638 188.6
[M-H]- 315.10988 179.0
[M+NH4]+ 334.15098 189.0
[M+K]+ 355.08032 176.2
[M+H-H2O]+ 299.11442 174.0
[M+HCOO]- 361.11536 193.2
[M+CH3COO]- 375.13101 204.5
[M+Na-2H]- 337.09183 184.1
[M]+ 316.11661 173.0
[M]- 316.11771 173.0
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.